data_1wfr_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 1wfr _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 ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 71.31 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 70.52 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.2 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.45 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 74.11 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 70.15 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 23' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 70.01 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 74.5 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 73.04 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.45 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.155 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 75.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.32 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 64.12 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.21 111.066 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.924 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.44 111.081 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.04 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.864 0.364 . . . . 75.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 63.2 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.402 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.943 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 74.52 111.149 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 74.04 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 73.02 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.456 ' CD1' ' HB1' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.915 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.21 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.402 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 71.13 111.15 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 72.22 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.42 111.145 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.5 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.932 0.396 . . . . 70.34 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 75.41 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 60.42 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.2 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 29' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 63.42 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 63.11 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.456 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.45 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.25 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.22 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 75.32 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 74.12 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 71.42 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 87' ' ' LEU . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.087 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 75.01 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 64.03 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.2 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 74.02 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 75.51 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.109 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.913 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 73.44 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 70.54 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.873 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 64.01 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.403 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 73.11 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.55 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD2' ' HB1' ' A' ' 50' ' ' ALA . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 62.21 111.19 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.464 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.437 ' CB ' HD11 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 72.15 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 52.1 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 73.5 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' A' ' 126' ' ' ALA . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 64.03 111.052 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 72.25 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 72.53 110.911 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.849 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 70.32 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.02 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 74.24 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.31 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.45 111.112 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.43 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.43 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 74.35 111.113 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.946 0.403 . . . . 62.41 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 74.31 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.54 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.33 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.14 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.54 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.12 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.43 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 72.23 111.067 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.5 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 75.01 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 75.21 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 62.24 111.183 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 75.52 112.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 75.32 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.44 111.079 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 74.1 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 64.31 112.541 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 73.54 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 73.31 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 65.5 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.51 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 73.25 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 70.03 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.093 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 62.31 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 75.51 111.069 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 72.33 110.99 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 71.05 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 75.04 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 63.43 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.929 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.855 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 62.41 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.24 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 73.12 111.172 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.32 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 72.01 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 75.34 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 72.05 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' GLN . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.35 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 72.33 110.865 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.064 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.085 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.908 0.385 . . . . 73.2 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CZ2' HD13 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 61.3 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.04 110.956 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 73.31 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 70.52 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 72.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.564 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 73.04 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 64.02 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 54.21 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 75.54 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 73.43 111.15 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 71.31 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 63.34 112.478 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 55.02 111.078 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.915 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 60.45 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 72.41 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 63.12 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 75.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 75.25 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 73.24 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 13.5 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 73.21 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.42 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.13 111.119 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 60.44 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 72.33 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.424 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.423 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 61.22 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' N ' HG22 ' A' ' 93' ' ' VAL . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 65.13 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.927 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.041 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 64.22 110.858 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 75.02 110.901 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 115' ' ' THR . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.437 ' N ' HD23 ' A' ' 111' ' ' LEU . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 75.33 111.116 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 51.11 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 63.43 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 131' ' ' LYS . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.152 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 130' ' ' VAL . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.142 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.34 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.082 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 8.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.94 0.4 . . . . 74.43 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.45 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.51 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.51 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 74.14 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 53.12 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 75.03 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 71.04 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.54 111.105 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 61.21 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' PHE . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 74.42 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 75.33 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 65.42 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.35 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.21 111.101 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 74.13 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 74.25 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 71.44 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 74.51 111.137 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.849 0.356 . . . . 74.13 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.106 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 72.35 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.414 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 64.01 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.23 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 72.4 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 75.45 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HG2' ' CB ' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 73.33 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 75.51 110.951 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.912 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 72.33 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.917 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' GLU . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.43 111.136 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.15 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.128 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.947 0.403 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.481 ' CZ2' HD23 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.11 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.497 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.42 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 71.15 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.45 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 63.32 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.43 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 74.23 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.04 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 64.21 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' HG11 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 72.12 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 63.42 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 61.4 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 74.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 57' ' ' ALA . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.89 0.376 . . . . 73.1 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.5 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 64.2 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 100' ' ' PRO . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 63.25 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.46 ' N ' HG21 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 72.31 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.458 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 75.51 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.43 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 72.42 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 74.21 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.468 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 64.41 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 61.52 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.24 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.45 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 71.43 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 19' ' ' TYR . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 62.41 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 74.33 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' CB ' HG12 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 71.31 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 65.21 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.11 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 70.23 111.099 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.14 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 73.22 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 75.1 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.04 111.058 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 74.55 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 71.25 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.44 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 74.22 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 65.35 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 75.23 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 74.22 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.34 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.367 . . . . 75.42 110.971 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 74.31 111.117 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.05 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 75.32 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 73.33 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.33 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 73.33 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.941 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 65.14 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.17 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 74.11 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 72.24 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 74.13 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.12 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 75.14 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.886 0.374 . . . . 74.51 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 71.12 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.11 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 61.53 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.23 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 11' ' ' PHE . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.3 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 52.55 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 74.31 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.33 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.42 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 70.52 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.22 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.108 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 72.02 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 52.4 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 70.31 111.16 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 61.44 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 74.24 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 61.03 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 100' ' ' PRO . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.487 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 71.13 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.407 ' N ' HG21 ' A' ' 93' ' ' VAL . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.55 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 75.22 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 75.02 110.932 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 62.51 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.45 111.171 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.53 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 73.3 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 73.12 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.53 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 19' ' ' TYR . 47.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.071 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.908 0.385 . . . . 75.34 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 75.45 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.31 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.519 ' CE1' HD22 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 65.33 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 75.25 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD22 ' CE1' ' A' ' 19' ' ' TYR . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 62.31 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.11 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 71.41 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 63.21 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 75.14 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.24 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.31 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 71.4 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 75.15 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 73.54 112.448 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.089 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 73.42 111.095 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 63.3 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.33 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 73.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.53 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 72.34 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 73.01 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.133 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 63.35 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' CB ' HD22 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.5 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.482 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 73.15 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.434 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 54.5 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.23 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 63.45 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 55.51 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.952 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.01 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 61.03 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 85' ' ' ALA . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 115' ' ' THR . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.41 ' N ' HD21 ' A' ' 111' ' ' LEU . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 73.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.473 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.42 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' GLU . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.1 111.134 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.22 111.081 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 44' ' ' VAL . 21.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 75.31 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.1 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 65.32 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.539 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 75.23 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 75.02 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 73.43 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD23 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' CE2' ' A' ' 11' ' ' PHE . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 75.33 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 74.23 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' C ' HD22 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 60' ' ' LEU . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.862 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 52.52 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 53.41 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.92 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.43 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 71.23 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 72.31 111.207 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 73.03 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.34 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.35 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 75.14 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 74.1 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.56 ' CD1' HG22 ' A' ' 44' ' ' VAL . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 100' ' ' PRO . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 64.54 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 75.32 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.452 ' N ' HG23 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 65.51 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.93 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 75.43 110.889 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 115' ' ' THR . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 71.44 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.436 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 74.33 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 63.32 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 74.11 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 72.01 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.53 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 73.54 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 70.54 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.083 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 75.43 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 75.22 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 73.22 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 63.43 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 75.12 111.146 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.45 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 73.01 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.32 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 75.44 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 64.21 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 64.23 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 57' ' ' ALA . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 73.14 111.146 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 56' ' ' VAL . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 64.35 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.11 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.902 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 74.12 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.31 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.144 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 70.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 74.23 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.44 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 70.54 112.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.937 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 63.02 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 73.4 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.526 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 60.32 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 117' ' ' ALA . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 64.34 111.054 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.473 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 74.42 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 72.03 110.923 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.414 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 75.53 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 15' ' ' TRP . 86.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.0 111.101 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 73.41 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 71.4 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.847 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 72.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 70.34 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 73.54 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.478 ' O ' ' CG2' ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 72.25 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 75.24 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 71.42 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 75.23 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 74.22 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 64.34 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 57' ' ' ALA . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 56' ' ' VAL . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 52.35 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.22 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 72.12 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 71.32 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 63.34 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.425 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.33 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.405 HG21 ' CZ2' ' A' ' 90' ' ' TRP . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 71.32 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 73.44 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.416 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 74.11 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 74.2 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.921 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' C ' HD21 ' A' ' 98' ' ' LEU . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 75.44 110.895 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 97' ' ' ARG . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 73.33 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 74.11 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 72.01 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.91 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.23 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 75.2 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.425 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 73.04 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 72.14 111.168 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 73.3 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 71.45 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.867 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 73.23 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.55 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 74.2 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 72.21 111.114 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.23 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 61.23 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.536 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 64.31 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.21 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.115 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.35 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 73.4 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 74.34 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.43 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.44 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 73.42 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 74.14 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 63.32 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 74.54 111.095 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 54.02 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.413 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.442 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 44.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.855 0.359 . . . . 73.21 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 74.11 111.127 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 60.13 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 70.3 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.141 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 75.52 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.23 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 65.32 110.936 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 74.1 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 75.3 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 72.03 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.42 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.453 ' CB ' HD21 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 65.32 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 72.3 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 70.24 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 73.52 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 74.41 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.51 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.54 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.3 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 72.31 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 75.33 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.15 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 64.43 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 74.01 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 55.25 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 65.21 111.088 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.14 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.918 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 72.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 71.4 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 75.03 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 72.24 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 75.43 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.117 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.839 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 100' ' ' PRO . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.12 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 71.23 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.05 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.438 ' CA ' HG22 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 70.42 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.82 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 72.24 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.43 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 75.33 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.427 ' CD1' HD13 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 71.23 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 72.13 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 74.21 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 131' ' ' LYS . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.105 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' HG11 ' A' ' 130' ' ' VAL . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.926 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.55 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.31 111.152 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 83.2 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.938 0.399 . . . . 74.24 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 73.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 73.13 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 64.21 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.44 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.879 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 75.15 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 63.13 111.093 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.564 HG23 ' CZ ' ' A' ' 11' ' ' PHE . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 72.31 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.24 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 75.31 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 72.44 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 75.13 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 75.15 111.136 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.54 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.21 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.04 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 73.2 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 65.1 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 71.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.113 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 70.53 111.154 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.24 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 64.32 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 63.34 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 65.53 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 72.01 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 71.44 112.339 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.955 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.895 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 70.51 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.442 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 74.11 111.256 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 74.35 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 70.21 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.514 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.069 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.137 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.32 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.131 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.978 0.418 . . . . 73.13 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.401 ' CB ' ' O ' ' A' ' 15' ' ' TRP . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 74.14 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 62.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.54 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 71.01 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 71.43 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 73.43 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 72.25 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 72.24 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 65.43 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.073 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 71.1 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CE2' ' CD2' ' A' ' 64' ' ' HIS . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.53 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 64.43 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 72.31 111.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 70.01 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 73.33 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.41 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.561 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.104 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 70.22 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 74.13 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 119' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 60.45 111.117 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 73.24 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 HD21 ' CZ2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 61.42 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 72.34 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.55 111.132 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 72.42 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.55 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.502 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 131' ' ' LYS . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 130' ' ' VAL . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.887 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.44 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.966 0.412 . . . . 71.51 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.153 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.15 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.833 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 62.32 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.02 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.563 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 75.31 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 63.24 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 74.02 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 72.52 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 61.52 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.41 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 75.43 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 75.42 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 70.24 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 73.14 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.4 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 73.24 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 61.44 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 71.53 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 63.42 112.342 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 64.01 110.974 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.46 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.34 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 75.33 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 71.14 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 73.11 111.106 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 75.52 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.51 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.23 111.1 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 75.34 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 52.04 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 74.25 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.35 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.13 111.052 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 73.11 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 72.05 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.35 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG2' ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 75.4 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 64.04 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.53 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 54.12 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 60.43 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.107 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.171 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 61.21 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 74.34 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 62.53 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 75.41 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 73.42 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 72.43 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.33 111.167 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.849 0.357 . . . . 72.04 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.83 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 75.03 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.499 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 55.55 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 73.33 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.954 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 111.108 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.939 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.24 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.21 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.52 110.933 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 60.41 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 74.35 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 72.41 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 54.42 111.096 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 124' ' ' GLN . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 72.02 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 131' ' ' LYS . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.167 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 75.43 111.121 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.008 0.433 . . . . 64.35 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 72.05 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 64.14 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.979 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 73.24 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.04 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 74.31 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.02 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.02 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 73.03 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 75.51 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 73.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.21 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.43 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.44 110.873 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.934 0.397 . . . . 72.21 110.875 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.103 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 71.51 111.184 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.49 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 74.34 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.31 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 71.43 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.942 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.933 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 72.31 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 71.44 111.123 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 65.31 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.13 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.122 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.949 0.404 . . . . 71.51 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.106 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 73.3 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 72.33 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.53 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 74.31 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.24 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.45 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 71.54 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 60.55 111.114 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 73.32 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.24 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 74.42 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 55.53 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 72.35 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 62.2 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 63.11 112.401 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.11 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.34 111.091 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 73.45 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 72.33 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 52.0 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 75.14 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.02 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 72.54 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.24 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' GLU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.15 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 71.52 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.53 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 73.43 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.04 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 62.33 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 75.15 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.445 ' CG1' HD11 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.174 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.486 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 73.15 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 72.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 71.1 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.126 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.2 110.922 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.45 111.146 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.118 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 61.21 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.17 159.6 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 74.12 110.885 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -148.96 166.96 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 61.54 110.827 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.87 -106.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 71.32 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 51.27 178.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 64.03 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 65.74 133.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 70.23 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.55 6.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 74.02 112.481 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -64.55 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 74.53 110.852 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.37 121.14 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.91 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -43.16 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -83.74 75.68 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 70.52 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.2 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.45 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 74.11 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 70.15 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.455 ' CD2' HD22 ' A' ' 23' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 70.01 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 74.5 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 73.04 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 70.52 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.45 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 73.41 111.155 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 75.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 63.32 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' CE2' ' HB1' ' A' ' 50' ' ' ALA . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 64.12 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.21 111.066 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.924 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 54.44 111.081 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.04 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.42 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 77' ' ' ALA . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.41 107.01 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.34 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.36 -120.51 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 63.32 112.497 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 114.53 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 74.51 110.866 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB2' ' CG1' ' A' ' 73' ' ' VAL . . . -103.4 -162.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.125 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -154.26 119.07 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 63.2 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.45 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.943 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 74.52 111.149 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 74.04 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.14 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 73.02 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.456 ' CD1' ' HB1' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.423 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.915 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.21 110.895 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.402 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 71.13 111.15 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 72.22 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.42 111.145 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.1 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.5 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.3 t -57.01 -54.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.1 120.65 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.075 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 t -163.84 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.878 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.15 80.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 64.31 112.453 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -43.59 2.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 64.22 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -161.64 142.95 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 62.25 110.808 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 75.03 110.919 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 73.32 112.491 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 64.21 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.91 86.94 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 71.43 110.918 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -39.89 108.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 72.24 110.836 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.88 49.12 81.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -47.83 171.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 72.14 110.827 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.13 155.93 34.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 62.4 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.36 97.87 0.12 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.747 -0.74 . . . . 74.42 112.492 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 tpt -93.35 -65.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 72.04 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 104.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.41 176.07 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.921 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 56.7 35.1 25.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.93 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 75.41 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 60.42 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 75.2 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 ' CE2' ' A' ' 29' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.43 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.42 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 63.42 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 63.11 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.33 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.456 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 74.45 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 74.25 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 63.22 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 75.32 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 74.12 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 71.42 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 87' ' ' LEU . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.087 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 75.01 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 64.03 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.2 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 74.02 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 75.51 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.109 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.913 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 73.44 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 70.54 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -100.09 105.85 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.873 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.53 -83.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.789 -0.719 . . . . 73.21 112.512 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -153.24 123.51 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 71.31 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.17 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.24 111.109 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.02 130.96 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.403 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 73.11 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.55 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' CD2' ' HB1' ' A' ' 50' ' ' ALA . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 62.21 111.19 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.464 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.437 ' CB ' HD11 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 72.15 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 52.1 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 73.5 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.404 HD21 ' CB ' ' A' ' 126' ' ' ALA . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 64.03 111.052 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 75.4 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 72.25 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 72.53 110.911 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 71.1 110.849 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 70.32 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.02 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.461 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 74.24 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.31 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 71.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.45 111.112 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.43 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 54.43 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -49.56 -59.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 74.35 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.76 109.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 74.54 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.75 -48.94 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.917 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.2 86.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 75.23 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.25 4.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.55 112.323 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -169.14 150.45 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.819 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -92.47 127.63 38.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.863 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.54 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.535 -0.226 . . . . 75.44 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -178.85 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 75.5 110.863 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.24 152.24 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.882 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 53.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 53.51 112.514 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -63.26 114.22 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.24 110.805 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 110.42 12.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 73.41 110.865 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.83 -122.1 5.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 35.44 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -145.44 -58.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 71.22 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.56 130.88 43.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.855 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -110.37 -34.45 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.885 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -90.03 78.94 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 74.31 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.54 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.33 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.14 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.54 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.12 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.43 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 72.23 111.067 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.5 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 75.01 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 75.21 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 62.24 111.183 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 75.52 112.374 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 75.32 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.44 111.079 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 74.1 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 64.31 112.541 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.07 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 73.54 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 73.31 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 65.5 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.51 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 73.25 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.4 121.51 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.01 41.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 74.34 112.504 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -152.86 -175.61 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 71.21 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 172.92 126.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 61.31 111.089 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -153.56 126.4 8.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.093 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 62.31 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 75.51 111.069 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 72.33 110.99 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 71.05 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 75.04 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 63.43 112.387 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.929 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.855 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 71.13 110.926 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 62.41 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.24 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 73.12 111.172 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 75.32 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 72.01 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 75.34 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 72.05 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 124' ' ' GLN . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.35 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 72.33 110.865 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.064 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' ALA . 47.0 t -56.98 -66.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 74.13 111.085 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 35.57 89.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.121 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.21 -173.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.833 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.79 65.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 52.41 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -41.41 4.39 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 61.12 112.352 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' PRO . 77.3 p -36.69 -41.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.912 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.4 m 44.55 44.54 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.816 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 73.05 112.447 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 62.31 112.422 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -155.78 -178.76 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 63.12 110.799 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -163.68 171.43 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.518 . . . . 44.22 110.815 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 161.19 11.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 70.11 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -153.95 128.2 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 71.14 110.824 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.96 126.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.857 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.26 149.7 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 74.44 112.531 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -48.57 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 63.4 110.925 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.21 125.04 41.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.849 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.35 -47.68 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 72.5 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -78.37 72.63 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.2 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CZ2' HD13 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 61.3 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 63.04 110.956 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 73.31 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 70.52 110.869 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 62.11 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 72.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.564 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 73.04 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 64.02 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.21 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 54.21 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 75.54 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 73.43 111.15 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 71.31 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 63.34 112.478 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' GLU . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 55.02 111.078 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 72.14 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.915 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 60.45 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 75.25 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 72.41 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 63.12 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 75.22 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 75.25 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 73.24 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 13.5 mt-10 -112.38 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.25 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 45.44 33.11 4.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 74.21 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.9 mt-10 -150.03 176.53 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 74.1 110.883 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 57' ' ' ALA . . . 178.66 143.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.25 111.163 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -158.9 95.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.935 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.42 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.13 111.119 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 60.44 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 72.33 111.137 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.423 HD13 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 61.22 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' N ' HG22 ' A' ' 93' ' ' VAL . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 65.13 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.927 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.45 111.041 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 64.22 110.858 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 75.02 110.901 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 115' ' ' THR . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.437 ' N ' HD23 ' A' ' 111' ' ' LEU . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 75.33 111.116 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 51.11 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 63.43 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 72.02 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 131' ' ' LYS . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.152 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 130' ' ' VAL . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.142 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.34 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 137' ' ' ALA . 2.2 t -51.35 -68.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.11 39.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 75.14 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.08 137.26 36.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.55 110.921 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.29 82.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.835 -0.698 . . . . 55.14 112.534 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.742 2.295 . . . . 73.11 112.319 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 140' ' ' PRO . 7.7 m -37.7 154.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.819 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 170.07 8.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.858 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 72.1 112.537 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.514 -0.234 . . . . 55.23 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -149.45 163.36 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 72.33 110.904 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.55 149.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.78 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.87 143.86 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 75.45 112.466 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -174.97 128.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 75.2 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.07 175.1 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 73.21 110.889 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 50.34 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 62.31 112.467 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.05 115.94 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.299 . . . . 73.4 110.863 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 39.5 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.17 -34.25 16.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 75.4 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 44' ' ' VAL . 8.7 m-85 -89.53 84.68 6.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.45 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.51 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 75.51 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 74.14 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 73.14 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 53.12 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 75.03 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 71.04 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.54 111.105 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 61.21 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' PHE . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 74.42 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 75.33 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 65.42 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.35 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 64.21 111.101 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 74.13 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 74.25 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 71.44 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 77' ' ' ALA . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 74.51 111.137 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -94.53 128.17 40.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.68 -75.48 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 74.21 112.526 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -137.94 116.99 12.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 73.2 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' HB2' ' CG1' ' A' ' 73' ' ' VAL . . . -113.06 -176.24 2.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 73.52 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -150.8 129.56 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.845 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.106 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.084 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 72.35 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.414 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 64.01 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.23 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 72.4 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 75.45 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HG2' ' CB ' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 73.33 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 75.51 110.951 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 103' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.912 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 72.33 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.917 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' GLU . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.43 111.136 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.15 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . 44.7 t -61.52 -58.08 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.2 111.128 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -42.83 95.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 75.55 111.108 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' VAL . 0.6 OUTLIER -164.36 131.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.836 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.76 166.7 38.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 72.31 112.486 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -179.45 2.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 71.12 112.313 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 167.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.4 t -168.27 130.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.876 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 72.1 112.477 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.238 . . . . 72.43 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.47 139.01 47.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 74.43 110.952 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.24 171.07 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 70.22 110.923 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.02 164.77 37.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 63.52 112.495 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 -169.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 72.34 110.86 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m 52.79 -176.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 75.4 110.831 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.89 166.69 12.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 72.21 112.511 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.69 153.86 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 74.53 110.828 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 43.89 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 2.5 mm? -87.4 24.77 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -149.58 74.67 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 75.2 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.481 ' CZ2' HD23 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.11 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.497 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 72.42 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 71.15 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.45 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 63.32 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 75.43 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 74.23 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.04 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 64.21 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' HG11 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 72.12 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 63.42 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 61.4 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 74.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 76' ' ' GLU . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.68 115.55 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.21 28.88 6.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.656 -0.783 . . . . 53.1 112.547 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' CB ' HG12 ' A' ' 73' ' ' VAL . 3.3 mt-10 -141.95 179.45 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 61.34 110.823 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 178.0 159.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 73.54 111.133 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.92 105.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.918 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.53 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.5 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 64.2 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 100' ' ' PRO . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.481 HD23 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 63.25 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.926 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.46 ' N ' HG21 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 72.31 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.458 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 75.51 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.43 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 74.55 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 72.42 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 74.21 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.468 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 64.41 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 61.52 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.24 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.45 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 71.43 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 19' ' ' TYR . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 137' ' ' ALA . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.8 t -68.72 -36.56 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' ARG . . . -63.41 112.22 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.086 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.4 p -169.79 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 53.45 110.865 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.3 78.5 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 71.5 112.489 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.39 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 72.34 112.333 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -152.51 157.63 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 64.53 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 m -105.38 105.42 15.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.876 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.479 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.52 -0.232 . . . . 73.32 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 64.01 -173.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 73.13 110.895 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.05 170.01 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 51.44 110.897 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.29 -174.41 13.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.662 -0.78 . . . . 65.43 112.426 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.11 170.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 74.34 110.921 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m 63.36 160.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 64.02 110.917 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.59 137.87 4.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 62.33 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 -60.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.653 0.263 . . . . 74.24 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.06 168.61 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.928 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -112.07 -56.51 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.947 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.59 86.59 6.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 62.41 110.882 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 74.33 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' CB ' HG12 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 71.31 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.569 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 65.21 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.11 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 70.23 111.099 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.14 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 73.22 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 75.1 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.04 111.058 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 74.55 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 71.25 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.44 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 74.22 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 65.35 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 75.23 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG12 ' CB ' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.919 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 74.22 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.34 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.13 115.41 30.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.68 -74.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 74.22 112.511 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -138.79 131.7 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 73.33 110.822 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.48 179.73 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.102 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -144.1 121.34 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 75.42 110.971 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.419 ' CG2' ' HD2' ' A' ' 113' ' ' LYS . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 74.31 111.117 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 71.13 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 73.05 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 75.32 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 73.33 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.33 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 73.33 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.941 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 65.14 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.44 111.17 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.888 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 74.11 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 72.24 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 74.13 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.463 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 65.12 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.569 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 75.14 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.3 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -68.98 -36.04 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.89 142.06 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.129 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.5 t -128.45 -50.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 75.32 110.839 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.37 170.01 18.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 64.44 112.546 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.7 37.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 72.34 112.35 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -64.32 157.87 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.2 120.6 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 73.33 110.82 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 73.25 112.473 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.419 -0.272 . . . . 74.41 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.4 143.97 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.945 0.402 . . . . 73.31 110.81 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.33 86.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 71.22 110.832 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 165.82 26.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.744 . . . . 71.33 112.48 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -178.09 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 74.15 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -104.9 164.76 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.916 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.16 149.2 18.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.702 -0.761 . . . . 73.41 112.452 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.1 159.45 26.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 70.34 110.912 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -40.8 136.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.13 -174.16 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 56.75 38.67 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.487 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 71.12 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.11 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.406 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 61.53 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.23 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 11' ' ' PHE . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 73.3 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 52.55 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 74.31 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 73.33 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.42 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 70.52 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.22 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 76' ' ' GLU . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -123.46 98.16 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.26 -39.05 3.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' HB2' ' CG1' ' A' ' 73' ' ' VAL . 4.1 mt-10 -77.39 -177.72 4.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 52.43 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 173.05 134.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.72 122.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.427 . . . . 72.02 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 52.4 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 70.31 111.16 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 61.44 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 74.24 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 61.03 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 100' ' ' PRO . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.487 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 71.13 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.407 ' N ' HG21 ' A' ' 93' ' ' VAL . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.55 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 75.22 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 75.02 110.932 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 62.51 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.45 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 74.45 111.171 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.53 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 73.3 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.43 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 73.12 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.53 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 19' ' ' TYR . 47.2 t -70.25 -50.62 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.41 111.071 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.28 82.82 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.097 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.01 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 65.33 110.837 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -176.65 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 61.33 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 72.03 112.337 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.8 p -80.53 134.19 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 62.5 110.809 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -109.05 148.1 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.33 112.485 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 74.44 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -158.38 133.12 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 73.01 110.88 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -167.94 141.68 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.816 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.88 140.85 11.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 63.32 112.399 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 175.85 96.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.969 0.414 . . . . 74.22 110.855 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -175.42 132.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.937 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.16 175.37 39.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.5 112.473 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -88.96 -51.46 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 64.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.88 140.27 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.02 -43.42 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 75.45 110.925 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.17 94.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 75.45 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 65.31 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.519 ' CE1' HD22 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 65.33 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 75.25 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD22 ' CE1' ' A' ' 19' ' ' TYR . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 62.31 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.11 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 71.41 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 63.21 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 75.14 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 75.24 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.15 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.31 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 71.4 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.21 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 75.15 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 73.54 112.448 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 74.22 111.089 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 73.42 111.095 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 63.3 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 75.33 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 73.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.53 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.66 97.63 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 108.98 -97.85 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.31 112.44 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -111.49 124.69 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 72.1 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.32 -179.72 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 73.01 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.133 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 63.35 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' CB ' HD22 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 74.5 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.482 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 73.15 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.434 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 54.5 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.23 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 63.45 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 55.51 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.952 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.01 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 61.03 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 85' ' ' ALA . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 115' ' ' THR . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 70.14 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.24 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.41 ' N ' HD21 ' A' ' 111' ' ' LEU . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 73.33 111.182 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 63.3 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.473 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.11 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.42 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' GLU . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.1 111.134 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.02 -55.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.22 111.081 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.09 116.61 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.114 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.4 t -163.47 -60.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.825 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.49 145.47 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 63.2 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 134.21 27.55 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.673 2.249 . . . . 75.22 112.349 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -46.11 79.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 75.33 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.2 p 179.87 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 72.12 110.832 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.538 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 75.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -166.05 129.94 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 62.44 110.848 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.31 146.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.12 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.13 97.27 1.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 63.53 112.458 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.34 90.65 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 55.51 110.843 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.14 124.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 62.54 110.899 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.26 159.81 21.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 75.53 112.511 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 ttm -88.1 -53.51 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 74.35 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.22 112.62 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.838 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -115.87 -46.56 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 73.14 110.957 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 44' ' ' VAL . 21.1 m-85 -87.83 76.23 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.91 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.1 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 65.32 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.539 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 75.23 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 75.02 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 73.43 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD23 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG23 ' CE2' ' A' ' 11' ' ' PHE . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 75.33 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 74.23 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' C ' HD22 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 60' ' ' LEU . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 73.54 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.4 110.862 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 52.52 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 53.41 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 74.2 110.92 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.43 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 71.23 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 72.31 111.207 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -97.6 133.64 41.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.43 -93.92 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 74.2 112.511 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 75.4 110.904 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.79 -179.07 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.103 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -132.31 121.74 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.34 111.129 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.35 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 75.14 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 74.1 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.56 ' CD1' HG22 ' A' ' 44' ' ' VAL . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 100' ' ' PRO . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 64.54 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 75.32 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.452 ' N ' HG23 ' A' ' 93' ' ' VAL . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 65.51 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.93 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.22 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 75.43 110.889 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.436 HD21 ' N ' ' A' ' 115' ' ' THR . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 71.44 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.436 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 74.33 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 63.32 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 74.11 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 72.01 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.53 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.929 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 73.54 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.14 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.539 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 70.54 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.51 -52.71 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.083 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.5 125.81 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.11 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.9 t -177.97 174.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.834 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 59.9 150.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 75.23 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -44.23 2.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 74.11 112.364 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 m -152.36 134.4 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.839 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.8 t -122.22 130.62 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.25 112.486 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.455 -0.258 . . . . 74.31 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -139.54 145.51 38.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.418 . . . . 53.54 110.776 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -154.44 176.78 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.878 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 153.56 10.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 74.22 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.77 148.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 74.35 110.805 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -143.46 169.32 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 74.51 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -178.1 46.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.699 . . . . 71.11 112.532 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.89 -51.52 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 74.11 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.15 87.95 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.0 mt -107.83 36.01 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.42 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -155.56 42.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.9 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.475 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 74.42 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 75.22 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 73.22 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 63.43 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 75.12 111.146 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.45 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 73.01 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.32 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 75.44 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 64.21 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 64.23 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG22 ' N ' ' A' ' 57' ' ' ALA . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 73.14 111.146 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 56' ' ' VAL . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 64.35 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.11 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' GLY . 26.3 mt-10 -96.07 123.68 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . . . 35.16 41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.764 -0.731 . . . . 45.21 112.424 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -154.04 -178.45 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 73.5 110.86 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 174.35 154.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.081 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -177.05 104.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.31 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.144 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 70.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' CG ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 74.23 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.44 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 70.54 112.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.13 110.937 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 63.02 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 74.1 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' CD1' ' C ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 73.4 110.882 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.526 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 60.32 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 117' ' ' ALA . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 64.34 111.054 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.473 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 74.42 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 72.03 110.923 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.414 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 75.53 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 15' ' ' TRP . 86.0 t -76.84 -58.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.0 111.101 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 36.75 90.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 73.34 111.086 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 150.62 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.863 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.84 59.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 52.25 112.472 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.09 68.02 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 74.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 99.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.41 110.87 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 175.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 61.25 110.902 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 73.21 112.457 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.462 -0.255 . . . . 73.33 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.67 96.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 71.21 110.83 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.34 178.66 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.86 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -74.13 -106.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 70.2 112.493 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 80.99 -48.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 75.31 110.81 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -35.95 128.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.83 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 75.2 112.465 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -50.05 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 74.13 110.914 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.42 101.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 70.35 110.883 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.59 -58.84 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 71.11 110.953 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -80.93 96.8 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.888 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 71.4 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 62.14 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.847 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 72.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 70.34 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 64.44 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 73.54 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.478 ' O ' ' CG2' ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 72.25 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 75.24 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 71.42 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 75.23 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 75.35 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 74.22 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 64.34 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 57' ' ' ALA . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 56' ' ' VAL . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.457 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 52.35 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 71.22 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 72.12 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 -107.67 101.56 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.97 -19.39 46.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.482 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -115.83 172.03 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 74.34 110.914 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.58 169.94 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.066 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.27 118.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.84 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 63.34 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.425 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.33 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.405 HG21 ' CZ2' ' A' ' 90' ' ' TRP . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 71.32 111.132 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 73.44 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.416 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 74.11 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 74.2 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 64.33 110.921 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.43 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' C ' HD21 ' A' ' 98' ' ' LEU . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 75.44 110.895 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 97' ' ' ARG . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.877 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 73.33 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 74.11 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 72.01 110.915 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.91 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 75.23 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 75.2 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.425 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 73.04 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 72.14 111.168 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 73.3 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 71.45 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.867 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 73.23 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.55 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.15 -56.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -51.65 106.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 63.31 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 31.4 t -159.64 -39.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.904 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 126.33 160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.501 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.81 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 72.33 112.282 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 140' ' ' PRO . 86.9 p -37.4 123.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.9 t -87.24 109.77 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 71.52 112.451 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.449 -0.26 . . . . 75.33 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.95 153.06 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 74.14 110.835 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -176.99 107.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.877 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -177.39 14.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.676 -0.773 . . . . 71.31 112.465 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.3 m -150.13 -62.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 72.45 110.853 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.2 m -35.48 130.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.883 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.17 137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 72.13 112.516 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ttt -111.93 -47.58 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 74.44 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.81 97.71 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 54.02 110.837 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.22 -59.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.912 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -86.59 85.95 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 72.21 111.114 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.23 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 61.23 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.536 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' CG ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 64.31 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.21 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.115 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.35 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 73.4 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 74.34 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.43 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.44 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 73.42 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 74.14 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 63.32 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 74.54 111.095 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 54.02 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.413 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.442 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 44.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -95.69 119.6 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.57 -82.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 50.35 112.506 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.2 122.75 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.52 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.3 161.82 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 71.41 111.044 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -124.89 117.7 24.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.942 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 74.11 111.127 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 60.13 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 70.3 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 72.33 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.141 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 75.52 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.23 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 65.32 110.936 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 74.1 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.908 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 74.41 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.21 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 75.3 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 72.03 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.42 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.453 ' CB ' HD21 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 65.32 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.45 -50.33 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.02 86.36 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.09 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.1 p -139.54 178.46 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 74.04 110.801 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 51.97 176.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.796 -0.716 . . . . 53.33 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 170.77 15.82 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 75.32 112.353 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.1 p -57.23 129.86 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 63.15 110.871 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.5 p -135.64 136.8 41.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.861 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 54.52 112.515 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 63.31 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -159.48 101.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 74.23 110.869 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.14 141.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.861 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.77 130.68 5.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 53.03 112.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 p -177.47 132.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 73.21 110.904 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -60.68 115.84 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.96 173.91 1.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.674 -0.774 . . . . 74.32 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -95.31 -51.37 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 75.11 110.894 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -102.97 104.24 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 64.15 110.906 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt -108.08 171.06 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 56.68 35.82 26.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 70.24 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 73.52 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 73.52 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 74.41 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.51 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.54 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.3 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 72.31 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 75.33 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.15 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 64.43 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 74.01 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 55.25 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 65.21 111.088 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.14 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.918 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 72.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 71.4 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 75.03 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG1' ' HB1' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.86 124.47 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.51 -80.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 72.15 112.449 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -136.03 123.6 22.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 74.23 110.899 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' HB1' ' CG1' ' A' ' 73' ' ' VAL . . . -111.96 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 71.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.41 130.28 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.846 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 75.43 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.54 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.117 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.839 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 100' ' ' PRO . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.12 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 71.23 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 72.45 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 72.05 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' CA ' HG22 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 70.42 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.82 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 72.24 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.43 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 65.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 75.33 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.427 ' CD1' HD13 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 71.23 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 72.13 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 74.21 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 70.21 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 131' ' ' LYS . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.105 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.426 ' N ' HG11 ' A' ' 130' ' ' VAL . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.926 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 73.55 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.501 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.85 -60.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.31 111.152 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.84 86.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.24 111.154 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.6 m -94.18 -46.03 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 64.0 110.884 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.34 165.94 27.55 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 74.22 112.522 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.68 2.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 73.24 112.392 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.43 103.13 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.865 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 p -57.0 -48.24 78.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 55.34 110.86 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.475 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 55.13 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -175.78 159.17 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 73.43 110.967 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -44.43 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 74.5 110.877 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.35 71.35 0.94 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.752 . . . . 52.42 112.446 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.48 167.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 75.15 110.862 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -106.98 142.61 36.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.811 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.93 93.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 74.53 112.514 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -39.19 -46.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 74.22 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.24 111.51 22.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.881 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.21 28.08 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.922 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 83.2 m-85 -145.55 59.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 70.35 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 73.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 73.13 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 64.21 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 72.34 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.44 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 74.15 110.879 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 75.15 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 63.13 111.093 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.564 HG23 ' CZ ' ' A' ' 11' ' ' PHE . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 72.31 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.24 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 75.31 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 72.44 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 75.13 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 75.15 111.136 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.54 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.21 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.04 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 73.2 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 65.1 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 77' ' ' ALA . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -91.76 137.19 32.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.75 -82.85 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.82 122.15 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 52.42 110.883 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 73' ' ' VAL . . . -109.21 177.69 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.24 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -131.08 123.95 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.113 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 70.53 111.154 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.453 HG12 ' CD1' ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.868 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 64.24 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 64.32 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 63.34 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 65.53 110.924 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 72.01 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 71.44 112.339 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.955 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.895 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 70.51 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.442 ' N ' HD23 ' A' ' 111' ' ' LEU . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 74.11 111.256 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 74.35 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 75.44 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 70.21 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.514 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.514 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.069 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 74.21 111.137 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.32 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.56 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.33 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.98 -161.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.097 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.26 161.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.854 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.19 91.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 72.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.0 46.73 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.664 2.243 . . . . 75.03 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.9 p -95.93 125.3 40.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.9 139.43 30.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.82 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 75.33 112.448 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 73.12 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -163.13 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 71.12 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 62.23 158.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 71.24 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.66 168.17 12.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 52.32 112.517 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.05 96.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 74.43 110.887 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.6 150.02 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.89 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.13 143.53 5.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 73.22 112.472 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -54.93 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 75.2 110.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.58 154.58 28.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 64.12 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.63 176.97 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.858 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 40.75 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.401 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.401 ' CB ' ' O ' ' A' ' 15' ' ' TRP . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 74.14 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 62.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 75.1 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.871 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.35 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 63.54 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 71.01 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 71.43 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 73.43 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 72.25 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 72.24 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 65.43 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.073 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 71.1 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CE2' ' CD2' ' A' ' 64' ' ' HIS . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.53 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 64.43 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 72.31 111.034 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 72.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 70.01 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -101.85 120.97 41.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.32 -82.43 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 65.13 112.516 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 74.24 110.92 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.85 167.6 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.42 111.138 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 112.91 16.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.856 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.41 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.561 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.104 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 70.22 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 74.13 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 119' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 60.45 111.117 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 73.24 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 HD21 ' CZ2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 61.42 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 72.34 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.55 111.132 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 72.42 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.55 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.502 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 131' ' ' LYS . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 130' ' ' VAL . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.887 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.44 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.11 -46.38 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.13 145.99 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 72.14 111.022 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 94.1 p -172.56 114.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.855 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.91 177.11 30.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 63.14 112.514 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.84 -177.39 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 54.43 112.342 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 100.0 p -117.65 174.12 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 64.3 110.911 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.9 t -69.22 -54.92 12.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.852 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 74.33 112.44 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 72.53 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 151.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 74.33 110.855 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.34 93.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 71.22 110.864 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 73.42 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.14 125.54 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 70.21 110.909 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.31 97.61 0.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.791 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 162.63 13.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 73.41 112.399 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -163.98 127.57 2.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.691 0.281 . . . . 61.42 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CB ' HG21 ' A' ' 12' ' ' THR . 8.0 mt-10 58.02 -175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.936 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.12 -58.89 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 73.33 110.907 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 -103.38 77.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 71.51 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 HG21 ' CB ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.153 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 72.34 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.15 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.833 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 62.32 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 65.11 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 72.02 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.563 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 75.31 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 63.24 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 74.02 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 72.52 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 77' ' ' ALA . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 61.52 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.41 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 75.43 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 75.42 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 70.24 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.61 97.67 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 79.16 -42.51 2.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 71.2 112.483 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.75 176.29 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 72.44 110.892 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' CB ' ' A' ' 57' ' ' ALA . . . -178.55 117.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 75.31 111.158 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.49 130.25 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.875 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.4 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.424 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 73.24 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 61.44 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 71.53 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 63.42 112.342 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 64.01 110.974 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.46 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.34 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 75.33 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' CB ' ' CD ' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 71.14 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 73.11 111.106 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 75.52 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 63.51 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.23 111.1 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 75.43 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t -77.96 -47.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.14 97.16 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.053 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t -120.42 93.7 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.62 140.28 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.771 . . . . 62.04 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 159.63 52.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 74.31 112.362 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.0 t -117.69 -60.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m 60.56 129.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.829 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 71.2 112.513 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 64.52 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.86 152.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.893 0.378 . . . . 73.22 110.842 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -116.49 161.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 73.43 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.13 84.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 71.24 112.432 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.12 153.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.333 . . . . 73.14 110.861 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -46.16 26.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.896 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 138.41 3.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 64.52 112.505 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -138.39 -52.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 72.32 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -90.44 78.86 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -79.14 168.5 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.937 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 65.29 70.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.895 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 52.04 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 74.25 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.35 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 63.15 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.32 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.13 111.052 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 73.11 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 72.05 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 71.35 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG2' ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 75.4 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 64.04 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 75.53 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 54.12 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 60.43 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.21 111.107 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.52 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.171 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 61.21 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 74.34 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 62.53 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 75.41 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 73.42 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 72.43 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.33 111.167 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -98.16 120.59 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.9 -69.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 54.21 112.482 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -148.91 124.24 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 73.12 110.872 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.4 168.19 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.76 140.05 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.877 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.83 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 75.03 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.499 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.25 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 55.55 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 73.33 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 73.14 110.954 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 70.24 111.108 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.939 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.24 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.21 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.52 110.933 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 60.41 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 74.35 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 72.41 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 54.42 111.096 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 124' ' ' GLN . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 72.02 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 131' ' ' LYS . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.471 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.167 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 137' ' ' ALA . 94.6 t -72.74 -59.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 75.43 111.121 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.06 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 72.22 111.112 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.87 151.87 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.834 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.47 70.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 52.43 112.44 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.27 . . . . 73.3 112.334 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.74 85.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.4 t -178.03 142.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 73.54 110.888 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 64.4 112.465 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 64.12 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.21 136.61 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 73.45 110.865 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 171.04 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 72.15 110.85 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.71 54.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.453 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -144.24 147.19 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 75.43 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -142.65 117.59 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 64.14 110.934 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.89 176.11 54.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 71.21 112.474 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -148.78 -49.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 50.13 110.885 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.06 168.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -80.65 -54.45 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.41 65.05 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 73.11 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 72.05 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 64.14 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.43 110.979 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 73.24 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.04 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 74.31 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.02 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 71.02 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 73.03 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 75.51 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 73.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' CB ' ' HB1' ' A' ' 77' ' ' ALA . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.21 111.08 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.43 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 72.43 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -113.08 98.02 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.44 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.43 -47.36 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.42 112.539 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.22 179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 75.45 110.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' ' CB ' ' A' ' 57' ' ' ALA . . . -177.78 168.69 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 75.13 111.06 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 177.08 133.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.875 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.103 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 71.51 111.184 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.43 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.49 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 74.34 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.33 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 74.31 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 71.43 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.942 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.933 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.1 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 72.31 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 71.44 111.123 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 63.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 65.31 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 122' ' ' TYR . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 72.1 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.403 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.13 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.97 -59.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.122 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.01 100.9 7.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.128 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.1 p -102.72 110.31 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.05 110.912 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 55.25 84.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.487 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 163.12 39.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 72.13 112.315 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 90.05 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.856 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 137.4 54.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.871 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.444 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 71.43 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -135.04 178.14 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 74.51 110.832 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -107.85 137.92 45.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.41 110.828 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.22 -134.77 3.67 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.4 96.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 74.13 110.902 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 131.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.23 110.961 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 122.81 1.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 74.53 112.437 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -48.02 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.708 0.289 . . . . 74.11 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.24 111.31 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.21 -179.13 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 65.36 40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.51 110.914 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.106 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 73.3 110.888 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 72.33 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.53 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 74.31 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.24 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.45 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 71.54 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 60.55 111.114 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 73.32 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.24 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 74.42 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 55.53 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 72.35 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 62.2 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 63.11 112.401 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.11 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.34 111.091 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' CD2' ' SG ' ' A' ' 67' ' ' CYS . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 73.45 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 72.33 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 52.0 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 75.14 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.02 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' CG1' ' A' ' 73' ' ' VAL . 2.3 mm-40 -119.64 102.59 8.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 116.32 -92.09 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 73.24 112.474 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.28 117.21 15.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 70.4 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.34 171.2 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 64.23 111.067 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.23 115.92 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.944 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.13 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.42 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.24 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' GLU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 73.15 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 71.52 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 52.24 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD11 ' CG1' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.53 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 73.43 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.04 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.4 ' CG ' ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 62.33 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 75.15 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.445 ' CG1' HD11 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 73.22 111.174 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.486 ' N ' ' HD2' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 73.15 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 72.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 71.1 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.126 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 75.2 110.922 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.45 111.146 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.2 -60.76 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.118 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.59 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.093 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.21 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.862 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.71 65.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.23 112.532 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -49.1 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.747 2.298 . . . . 73.23 112.359 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 167.34 21.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.874 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.4 t -107.04 -50.13 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.31 110.825 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.672 -0.775 . . . . 71.42 112.523 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 71.31 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 72.51 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.14 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.669 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 64.51 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 52.13 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' HD13 ' A' ' 62' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.55 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 72.21 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' HG12 ' A' ' 56' ' ' VAL . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 73.45 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 52.02 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 61.03 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 44' ' ' VAL . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 54.5 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HE2' ' A' ' 71' ' ' LYS . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 70.24 111.066 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' A' ' 29' ' ' TYR . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 64.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 52.31 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE2' HG21 ' A' ' 59' ' ' VAL . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 54.44 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.864 0.364 . . . . 75.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.15 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 87' ' ' LEU . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.943 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 108' ' ' LEU . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.149 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.02 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 71.42 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 73.43 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 72.23 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.915 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 103' ' ' ALA . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.11 110.895 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 70.21 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.49 HG13 HD12 ' A' ' 119' ' ' LEU . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.44 111.15 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.21 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 101' ' ' LEU . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 71.41 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.558 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.15 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.529 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.898 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.145 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.495 ' N ' HG13 ' A' ' 130' ' ' VAL . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.421 HG21 HD23 ' A' ' 23' ' ' LEU . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 61.02 111.1 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 19' ' ' TYR . 26.3 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.932 0.396 . . . . 70.34 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 53.52 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 55.31 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 52.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.14 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 42.24 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 54.43 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 60.03 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 41.42 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 65.11 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 44.03 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.33 111.087 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 62.15 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 55.21 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.23 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 45.12 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 64.42 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 64.03 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 11' ' ' PHE . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' LEU . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.109 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' N ' HG12 ' A' ' 59' ' ' VAL . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.45 110.913 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 60' ' ' LEU . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 72.13 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 53.54 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.21 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 61.43 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.51 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.411 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.3 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 55.11 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 108' ' ' LEU . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 53.13 111.19 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.757 ' CB ' HD12 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 53.42 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 44.02 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 72.3 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 45.44 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.557 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.627 ' HA ' HD23 ' A' ' 104' ' ' LEU . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 108' ' ' LEU . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.052 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 73.04 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 43.35 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 70.01 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 61.52 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 44.52 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 62.03 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.631 HG13 HD12 ' A' ' 119' ' ' LEU . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.11 111.1 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 54.21 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 116' ' ' ILE . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 73.25 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.04 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.418 HG21 HD23 ' A' ' 23' ' ' LEU . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.121 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.112 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.05 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 65.11 111.113 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.946 0.403 . . . . 62.41 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 71.23 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 60.32 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.44 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.02 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.3 111.067 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.25 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' HG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 71.42 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 62.22 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 90' ' ' TRP . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 54.34 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 74.15 112.374 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 73.2 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 61.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 54.04 112.541 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 65.53 111.07 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 45.53 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 64.34 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 63.2 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 60.51 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 51.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.5 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 70.03 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 61.43 111.093 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 62.05 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 111' ' ' LEU . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 54.03 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 60.41 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 71.51 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.763 HG21 ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 63.32 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 65.04 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.62 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 32.12 112.387 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.12 110.929 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.855 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 83' ' ' ILE . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 62.23 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 70.55 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 53.05 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.23 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 104' ' ' LEU . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 42.35 111.172 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.23 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 61.3 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 63.22 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.62 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 51.03 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 130' ' ' VAL . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.3 111.064 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 71.33 111.085 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 44' ' ' VAL . 94.6 m-85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.908 0.385 . . . . 71.43 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CZ2' HD11 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.5 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 50.23 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 44.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 132' ' ' VAL . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.956 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 72.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 54.12 110.869 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 70.2 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 62.52 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 64.42 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 63.11 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 53.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 11' ' ' PHE . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 72.14 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 72.32 111.15 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 70.41 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 53.15 112.478 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' A' ' 44' ' ' VAL . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 53.1 111.078 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 63.43 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 60' ' ' LEU . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 59' ' ' VAL . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 62.4 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 41.14 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 71.12 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 63.34 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 71.12 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 52.5 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 60.4 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 73' ' ' VAL . 13.5 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 73.21 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.591 HG12 HD12 ' A' ' 111' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 53.14 111.119 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 44.34 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 108' ' ' LEU . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 52.52 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 54.34 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.61 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 54.04 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 92' ' ' GLU . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 43.32 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.34 110.927 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 43.42 111.041 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 53.32 110.858 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 74.52 110.901 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD23 ' CB ' ' A' ' 85' ' ' ALA . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 HG12 ' A' ' 83' ' ' ILE . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.01 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 42.41 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.43 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 61.33 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 43.32 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.152 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.426 HG21 HD23 ' A' ' 23' ' ' LEU . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.082 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 44' ' ' VAL . 8.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.94 0.4 . . . . 73.53 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.03 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.2 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 62.43 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' HA ' HG21 ' A' ' 136' ' ' VAL . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 55.22 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.43 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 136' ' ' VAL . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 41.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.42 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 61.03 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.04 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.1 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 36' ' ' TRP . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 65.52 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 42.01 111.105 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 55.42 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 90' ' ' TRP . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 53.51 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 62.45 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 55.0 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 64.45 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.02 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 11' ' ' PHE . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.32 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 60' ' ' LEU . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 59' ' ' VAL . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 64.13 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.42 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 54.45 111.137 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.849 0.356 . . . . 74.13 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 41' ' ' ALA . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.54 111.106 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.55 ' CG1' HD12 ' A' ' 111' ' ' LEU . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.084 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 43.33 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 44' ' ' VAL . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.769 ' HB2' HD12 ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.13 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.408 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 54.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.31 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 60.21 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 51.21 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 72.52 110.951 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.84 HD11 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 85' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.55 HD12 ' CG1' ' A' ' 83' ' ' ILE . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.912 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 70.34 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.84 HD12 HD11 ' A' ' 104' ' ' LEU . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 50.41 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 101' ' ' LEU . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.917 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.519 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.814 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 126' ' ' ALA . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 131' ' ' LYS . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 62.23 111.136 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.533 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.702 HG21 ' HA ' ' A' ' 19' ' ' TYR . 44.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.21 111.128 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.947 0.403 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 53.23 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.2 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.55 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.3 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 63.54 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 61.41 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 62.53 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 61.2 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 90' ' ' TRP . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 73.03 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 45.52 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 33.22 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.569 ' N ' HG12 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 63.51 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.41 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 44.44 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 62.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 57' ' ' ALA . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.89 0.376 . . . . 73.1 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 63.41 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.51 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 42.03 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 90' ' ' TRP . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.926 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 126' ' ' ALA . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 70.43 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.646 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 71.12 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.32 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 85' ' ' ALA . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.52 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.53 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 55.43 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.3 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 45.53 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 51.3 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 31.25 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.53 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 62.41 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.21 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' HB2' HG13 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 64.25 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 61.51 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 62.11 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 53.42 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.11 111.099 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 71.44 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 71.34 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 74.21 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.058 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 40.33 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 72.02 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 62.43 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.14 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 55.3 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 70.2 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 60' ' ' LEU . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 59' ' ' VAL . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 44.43 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.367 . . . . 71.42 110.971 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 HD12 ' A' ' 111' ' ' LEU . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 34.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 53.04 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 71.31 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 61.44 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 103' ' ' ALA . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 54.01 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 83' ' ' ILE . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 44.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 34.53 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 119' ' ' LEU . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.17 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 116' ' ' ILE . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.888 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 70.3 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 73.25 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.508 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 63.43 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 64.42 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 72.24 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.9 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.886 0.374 . . . . 74.51 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.669 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 61.24 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' HA ' HG21 ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.01 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 41.52 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 62.01 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 54.33 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 90' ' ' TRP . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 40.44 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 71.2 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.22 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' N ' HG12 ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 60' ' ' LEU . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 61.33 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.35 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 74' ' ' GLU . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.41 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.558 ' N ' HG12 ' A' ' 73' ' ' VAL . 35.7 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 72.02 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 41' ' ' ALA . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 70.12 111.129 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.135 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 31.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 64.53 111.16 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 51.12 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 42.42 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.68 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.2 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.884 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 50.5 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.23 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 55.23 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.24 110.932 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 63.33 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 104' ' ' LEU . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.171 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 53.55 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 60.5 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 101' ' ' LEU . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 65.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.11 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' TYR . 47.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.071 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 44' ' ' VAL . 95.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.908 0.385 . . . . 75.34 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 53.23 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 51.14 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' HD21 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 65.4 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 132' ' ' VAL . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 61.32 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 62.45 111.11 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 64.35 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 50.03 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 73.52 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 42.25 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 90' ' ' TRP . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 65.3 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 73.5 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 32.2 112.448 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.42 111.089 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 55.45 111.095 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 59' ' ' VAL . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 32.02 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 33.51 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 70.25 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 72.34 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 HD12 ' A' ' 111' ' ' LEU . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.133 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 44.31 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 55.4 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.722 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 71.21 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.845 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 41.22 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.04 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' ' 92' ' ' GLU . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 52.23 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 126' ' ' ALA . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 43.14 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.952 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 41.22 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 53.35 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 104' ' ' LEU . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 65.12 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 83' ' ' ILE . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 54.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.4 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 104' ' ' LEU . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 62.11 111.182 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 55.15 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.33 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 126' ' ' ALA . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.03 111.134 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.455 ' CB ' HD23 ' A' ' 23' ' ' LEU . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.081 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' HG11 ' A' ' 56' ' ' VAL . 21.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 64.12 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.44 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 31.41 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 34.44 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.762 ' HA ' HG21 ' A' ' 136' ' ' VAL . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 43.14 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 60.0 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.6 ' OH ' HD13 ' A' ' 62' ' ' LEU . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 65.01 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.32 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 73.33 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 52.21 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.765 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 90' ' ' TRP . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 55.4 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 73.13 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 11' ' ' PHE . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD13 ' OH ' ' A' ' 29' ' ' TYR . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 42.44 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 31.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 62' ' ' LEU . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.41 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 60.52 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.207 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 64.31 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG22 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.599 HG13 HD12 ' A' ' 111' ' ' LEU . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.21 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 43.31 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 52.42 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.765 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 90' ' ' TRP . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 51.14 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 73.52 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 64.45 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.675 HD23 ' CB ' ' A' ' 126' ' ' ALA . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.93 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 54.45 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.805 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 103' ' ' ALA . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 61.2 110.889 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 103' ' ' ALA . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 83' ' ' ILE . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 44.52 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.413 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 64.34 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 104' ' ' LEU . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 116' ' ' ILE . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 62.11 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 43.53 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 71.05 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 71.24 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.675 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.929 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 54.44 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.529 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 19' ' ' TYR . 8.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 44.21 111.083 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 75.43 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 52.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.592 ' HA ' HG21 ' A' ' 136' ' ' VAL . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.53 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 61.11 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 52.11 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 55.1 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 62.22 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 63.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 44.02 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 53.21 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.146 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 61.31 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 65.23 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 72.43 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 71.12 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 52.35 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 55.34 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 63.12 111.146 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.955 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 63.4 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 42.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 42.33 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.902 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 74.12 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 41' ' ' ALA . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.43 111.149 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.66 HD11 HD12 ' A' ' 111' ' ' LEU . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 52.31 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 65.43 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.547 HG21 ' HB3' ' A' ' 108' ' ' LEU . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' ' 130' ' ' VAL . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.589 ' HA ' HG23 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 50.04 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 70.24 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 65.5 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.33 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.61 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 64.14 112.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' CB ' ' A' ' 126' ' ' ALA . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 60.33 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.927 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 89' ' ' THR . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 71.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 42.22 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.418 ' CA ' HD21 ' A' ' 111' ' ' LEU . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.927 HD12 HD11 ' A' ' 104' ' ' LEU . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 42.34 111.054 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 116' ' ' ILE . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 71.41 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 65.05 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 64.34 110.923 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 94' ' ' LEU . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 32.21 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 19' ' ' TYR . 86.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 65.43 111.101 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.438 ' HD2' HG23 ' A' ' 58' ' ' VAL . 3.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 73.35 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.34 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HZ2' HD21 ' A' ' 94' ' ' LEU . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.847 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 64.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.34 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.626 ' O ' HG22 ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 43.32 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 40.3 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 61.33 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 55.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 74.23 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 71.44 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 63.13 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 11' ' ' PHE . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 60' ' ' LEU . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' N ' HG12 ' A' ' 59' ' ' VAL . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD13 ' OH ' ' A' ' 29' ' ' TYR . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 50.22 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 64.13 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 62.41 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 60.23 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.71 ' CD1' HD12 ' A' ' 111' ' ' LEU . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.41 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 64.14 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.425 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 70.45 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 52.43 110.921 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 73.3 110.895 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 61.24 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.24 110.893 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 43.54 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 103' ' ' ALA . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 71.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.595 HD12 ' CB ' ' A' ' 104' ' ' LEU . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 54.43 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 52.12 111.168 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 40.12 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 70.31 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 63.1 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 33.21 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.683 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 62.3 110.867 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.404 ' HB ' HD23 ' A' ' 23' ' ' LEU . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 54.51 111.098 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.23 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 71.4 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 62.12 111.114 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 54.25 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.5 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 55.01 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 71.11 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 125' ' ' ALA . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 60.44 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 63.43 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.115 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.789 HG22 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 71.5 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 64.4 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.25 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 55.1 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 64.11 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 63.5 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 23.21 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 74' ' ' GLU . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 61.21 111.095 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 16' ' ' ALA . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 60' ' ' LEU . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 m80 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 33.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HG3' HG23 ' A' ' 56' ' ' VAL . 3.9 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.855 0.359 . . . . 73.21 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 41' ' ' ALA . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 72.31 111.127 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.549 HG12 HD12 ' A' ' 111' ' ' LEU . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.04 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 24.31 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.4 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.22 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.789 ' CD1' HG22 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 63.1 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.757 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 93' ' ' VAL . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.141 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.24 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 74.21 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 51.43 110.936 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 72.02 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 103' ' ' ALA . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 83' ' ' ILE . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.908 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.867 HD12 HD11 ' A' ' 104' ' ' LEU . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 52.21 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 65.15 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 42.33 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 33' ' ' ALA . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 62.11 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 63.21 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 62.22 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 71.31 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 32.14 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 61.35 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 62.32 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HA ' HG21 ' A' ' 136' ' ' VAL . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 71.31 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' OH ' HD13 ' A' ' 62' ' ' LEU . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 61.41 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 64.14 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' TRP . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 40.13 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 63.31 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 72.21 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 53.24 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 61.3 111.088 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 45.23 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD13 ' OH ' ' A' ' 29' ' ' TYR . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.918 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 62.01 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.2 m80 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 70.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 63.32 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.55 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 65.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 52.32 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 72.24 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HD1' HD21 ' A' ' 111' ' ' LEU . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 73.03 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 64.54 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 52.2 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.1 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 HD21 ' A' ' 109' ' ' LEU . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.117 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CD1' HG22 ' A' ' 44' ' ' VAL . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.905 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 44.42 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.54 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.892 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.05 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 64.32 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 51.31 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.82 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 43.03 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.417 HD21 ' HD1' ' A' ' 81' ' ' PHE . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.3 110.897 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 62.15 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.762 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 60.15 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 25.42 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 72.23 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.15 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.892 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 51.21 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 54.12 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.926 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.54 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 32.44 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 19' ' ' TYR . 61.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 53.32 111.152 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 44' ' ' VAL . 83.2 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.938 0.399 . . . . 54.45 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.52 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 65.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 52.24 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' HA ' HG21 ' A' ' 136' ' ' VAL . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 53.24 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 132' ' ' VAL . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.61 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.879 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.52 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 53.01 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.52 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.23 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.24 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.51 111.093 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 90' ' ' TRP . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 54.23 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.2 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 71.53 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 70.54 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 63.14 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 74.4 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 74' ' ' GLU . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 73.13 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG12 ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.581 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 61.23 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 60.33 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 43.43 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 56' ' ' VAL . 31.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 71.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.113 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 55.44 111.154 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.733 HG12 HD12 ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.14 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.664 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 63.4 110.868 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 54.44 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 61.21 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 61.03 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.874 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 54.3 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 73.04 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.924 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.874 HD12 ' HB2' ' A' ' 92' ' ' GLU . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 64.14 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 63.41 112.339 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 65.02 110.955 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.401 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.895 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 103' ' ' ALA . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.733 HD12 HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 61.33 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 70.44 111.256 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 104' ' ' LEU . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 61.03 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 71.34 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 61.32 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.499 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.33 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 23' ' ' LEU . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 54.34 111.137 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.614 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 14.2 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.24 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 19' ' ' TYR . 39.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.978 0.418 . . . . 73.13 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.764 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.714 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 54.54 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.32 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 55.54 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 53.32 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 54.01 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.33 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' HE1' ' A' ' 122' ' ' TYR . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 61.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 55.2 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 64.5 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.5 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 60.22 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 45.31 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 71.33 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 74' ' ' GLU . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 51.42 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.073 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.543 ' N ' HG12 ' A' ' 59' ' ' VAL . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 70.14 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m80 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 34.21 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 62.25 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 59' ' ' VAL . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 70.43 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.597 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 63.52 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.806 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HD3' ' A' ' 100' ' ' PRO . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.41 111.104 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.764 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.9 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 72.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD3' HG13 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 104' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 51.25 111.117 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 61.22 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 62.5 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.02 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 60.31 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 61.25 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.444 HG13 HD12 ' A' ' 119' ' ' LEU . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 54.2 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 41.31 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 62.44 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 35' ' ' THR . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 33.02 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.503 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' VAL . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 52.44 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.24 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 19' ' ' TYR . 25.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.966 0.412 . . . . 71.51 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 52.5 111.153 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 60.14 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 50.32 110.833 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 43.42 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 61.23 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 33.23 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 70.02 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 53.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 74.45 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 55.15 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 64.42 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 55.32 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 ' N ' HG12 ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 52.1 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.32 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 54.53 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 53.25 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 70.1 110.875 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.24 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 108' ' ' LEU . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.685 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 72.32 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 55.54 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 64.14 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 61.21 112.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.974 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.42 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 89' ' ' THR . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 104' ' ' LEU . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 65.05 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 44.15 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.482 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.12 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 64.31 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 61.23 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 41.32 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.43 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 70.35 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.14 111.106 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 63.53 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 62.34 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 26' ' ' SER . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.52 111.1 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 44' ' ' VAL . 64.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 73.24 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 45.33 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.599 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 132' ' ' VAL . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 45.41 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 53.44 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 64.35 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.052 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 31.45 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 51.2 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 54.2 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 61.12 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 43.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 50.55 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 51.24 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 41.2 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 54.21 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 64.01 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 63.11 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 60.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 64.2 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 51.24 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 65.34 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 65.32 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 54.23 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 51.1 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.167 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.849 0.357 . . . . 72.04 110.877 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.44 ' HD1' HD21 ' A' ' 111' ' ' LEU . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 62.53 110.83 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.97 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 63.35 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 53.23 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 64.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 64.5 110.954 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 52.44 111.108 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.776 HD11 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.939 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 65.23 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.13 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 103' ' ' ALA . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.04 110.933 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 45.34 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 104' ' ' LEU . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 61.4 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 116' ' ' ILE . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 60.21 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 52.11 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 52.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.56 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 71.2 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 23' ' ' LEU . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.167 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' TYR . 94.6 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 72.31 111.121 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.008 0.433 . . . . 64.35 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 63.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.979 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 52.34 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 132' ' ' VAL . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 53.11 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.51 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.34 111.142 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 70.35 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 45.45 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 62.02 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.13 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.2 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.4 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 54.04 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.873 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.934 0.397 . . . . 70.34 110.875 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.103 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 HD12 ' A' ' 111' ' ' LEU . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 61.34 111.184 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.51 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 63.45 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 44.15 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 64.12 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 45.02 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.671 ' HB3' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.942 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.5 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 71.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 104' ' ' LEU . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 60.1 110.933 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 70.15 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 83' ' ' ILE . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 62.52 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 104' ' ' LEU . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 71.2 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 52.04 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.506 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 23' ' ' LEU . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.122 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 44' ' ' VAL . 63.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.949 0.404 . . . . 71.51 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.106 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 62.35 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.21 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 132' ' ' VAL . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 54.3 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' OH ' HD13 ' A' ' 62' ' ' LEU . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 52.02 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 43.05 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.32 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.12 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 11' ' ' PHE . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 43.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 72.2 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 52.41 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 61.32 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 63.22 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 52.31 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 61.14 112.401 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 63.43 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.091 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 59' ' ' VAL . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD13 ' OH ' ' A' ' 29' ' ' TYR . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 62.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 44.42 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 50.13 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 60.33 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HG12 ' A' ' 73' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 72.54 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 45.11 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.04 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 54.33 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 50.14 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.753 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 71.34 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 60.1 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.52 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 92' ' ' GLU . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 63.42 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 119' ' ' LEU . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 23.31 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 71.01 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.24 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 103' ' ' ALA . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 72.4 110.939 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' LEU . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 51.03 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 65.43 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 72.55 111.174 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 101' ' ' LEU . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 70.25 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 54.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 70.31 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 126' ' ' ALA . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 54.1 110.922 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 63.14 111.146 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 23' ' ' LEU . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 19' ' ' TYR . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.118 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 51.24 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.17 159.6 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 74.02 110.885 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -148.96 166.96 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 61.54 110.827 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.87 -106.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 71.32 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 51.27 178.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 64.03 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 65.74 133.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 61.31 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.55 6.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 74.02 112.481 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -64.55 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 74.53 110.852 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.37 121.14 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.91 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -43.16 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 54.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -83.74 75.68 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 72.51 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.14 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.669 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 64.51 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 52.13 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' HD13 ' A' ' 62' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.55 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 72.21 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' HG12 ' A' ' 56' ' ' VAL . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 73.45 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 52.02 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 61.03 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 44' ' ' VAL . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 54.5 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HE2' ' A' ' 71' ' ' LYS . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 70.24 111.066 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' A' ' 29' ' ' TYR . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 64.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 52.31 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE2' HG21 ' A' ' 59' ' ' VAL . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.41 107.01 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 54.44 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.36 -120.51 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 61.24 112.497 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 114.53 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 64.33 110.866 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.4 -162.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 71.41 111.125 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -154.26 119.07 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.15 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 87' ' ' LEU . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.943 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 108' ' ' LEU . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.149 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.02 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 71.42 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 73.43 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 72.23 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.915 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 103' ' ' ALA . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.11 110.895 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 70.21 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.49 HG13 HD12 ' A' ' 119' ' ' LEU . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.44 111.15 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.21 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 101' ' ' LEU . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 71.41 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.558 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.15 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.529 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.898 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.145 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.495 ' N ' HG13 ' A' ' 130' ' ' VAL . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.421 HG21 HD23 ' A' ' 23' ' ' LEU . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 61.02 111.1 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 19' ' ' TYR . 26.3 t -57.01 -54.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.1 120.65 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.075 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 t -163.84 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.878 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.15 80.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 52.52 112.453 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -43.59 2.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 64.22 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -161.64 142.95 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 62.25 110.808 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.919 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 73.32 112.491 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 64.21 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.91 86.94 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 71.43 110.918 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -39.89 108.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 72.24 110.836 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.88 49.12 81.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 42.42 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -47.83 171.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 61.02 110.827 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.13 155.93 34.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 62.4 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.36 97.87 0.12 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.747 -0.74 . . . . 72.12 112.492 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 tpt -93.35 -65.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 72.04 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 104.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.41 176.07 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.921 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 56.7 35.1 25.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.93 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 53.52 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 55.31 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 52.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.14 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 42.24 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 54.43 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 60.03 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 41.42 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 65.11 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 44.03 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.33 111.087 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 62.15 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 55.21 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.23 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 45.12 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 64.42 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 64.03 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 11' ' ' PHE . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' LEU . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.109 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' N ' HG12 ' A' ' 59' ' ' VAL . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.45 110.913 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 60' ' ' LEU . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 72.13 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 53.54 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.21 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -100.09 105.85 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.53 -83.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.789 -0.719 . . . . 31.45 112.512 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -153.24 123.51 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 71.31 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 73' ' ' VAL . . . -103.17 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 65.33 111.109 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.02 130.96 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 61.43 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.51 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.411 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.3 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 55.11 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 108' ' ' LEU . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 53.13 111.19 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.757 ' CB ' HD12 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 53.42 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 44.02 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 72.3 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 45.44 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.557 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.627 ' HA ' HD23 ' A' ' 104' ' ' LEU . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 108' ' ' LEU . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.052 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 73.04 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 43.35 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 70.01 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 61.52 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 44.52 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 62.03 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.631 HG13 HD12 ' A' ' 119' ' ' LEU . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.11 111.1 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 54.21 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 116' ' ' ILE . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 73.25 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.04 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.418 HG21 HD23 ' A' ' 23' ' ' LEU . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.121 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.112 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.05 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -49.56 -59.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 65.11 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.76 109.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 60.32 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.75 -48.94 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.917 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.2 86.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 63.42 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.25 4.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.55 112.323 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -169.14 150.45 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.819 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -92.47 127.63 38.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 60.14 110.863 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.54 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.535 -0.226 . . . . 75.44 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -178.85 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 75.5 110.863 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.24 152.24 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.882 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 53.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 53.51 112.514 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -63.26 114.22 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.24 110.805 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 110.42 12.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 73.41 110.865 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.83 -122.1 5.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 34.41 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -145.44 -58.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 64.44 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.56 130.88 43.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.855 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -110.37 -34.45 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 72.41 110.885 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -90.03 78.94 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 71.23 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 60.32 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.44 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.02 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.3 111.067 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.25 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' HG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 71.42 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 62.22 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 90' ' ' TRP . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 54.34 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 74.15 112.374 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 73.2 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 61.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 54.04 112.541 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 65.53 111.07 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 45.53 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 64.34 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 63.2 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 60.51 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 51.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.5 mp0 -105.4 121.51 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . 38.01 41.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 44.44 112.504 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 6.7 mt-10 -152.86 -175.61 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 71.21 110.85 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 172.92 126.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 35.52 111.089 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 tp10 -153.56 126.4 8.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.873 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 61.43 111.093 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 62.05 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 111' ' ' LEU . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 54.03 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 60.41 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 71.51 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.763 HG21 ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 63.32 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 65.04 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.62 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 32.12 112.387 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.12 110.929 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.855 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 83' ' ' ILE . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 62.23 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 70.55 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 53.05 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.23 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 104' ' ' LEU . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 42.35 111.172 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.23 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 61.3 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 63.22 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.62 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 51.03 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 130' ' ' VAL . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.3 111.064 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' ALA . 47.0 t -56.98 -66.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 71.33 111.085 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 35.57 89.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 44.22 111.121 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.21 -173.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.833 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.79 65.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 33.04 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -41.41 4.39 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 61.12 112.352 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' PRO . 77.3 p -36.69 -41.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.912 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.4 m 44.55 44.54 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.816 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 33.35 112.447 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 62.31 112.422 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -155.78 -178.76 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 52.12 110.799 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -163.68 171.43 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.518 . . . . 44.12 110.815 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 161.19 11.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 70.11 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -153.95 128.2 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 71.14 110.824 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.96 126.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.857 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.26 149.7 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 74.44 112.531 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -48.57 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 63.33 110.925 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.21 125.04 41.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.849 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.35 -47.68 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 72.5 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 44' ' ' VAL . 94.6 m-85 -78.37 72.63 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.895 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CZ2' HD11 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.5 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 50.23 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 44.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 132' ' ' VAL . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.956 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 72.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 54.12 110.869 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 70.2 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 62.52 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 64.42 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 63.11 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 53.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 11' ' ' PHE . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 72.14 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 72.32 111.15 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 70.41 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 53.15 112.478 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' A' ' 44' ' ' VAL . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 53.1 111.078 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 63.43 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 60' ' ' LEU . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 59' ' ' VAL . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 62.4 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 41.14 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 71.12 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 63.34 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 71.12 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 52.5 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 60.4 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 73' ' ' VAL . 13.5 mt-10 -112.38 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . 45.44 33.11 4.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 44.31 112.492 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 mt-10 -150.03 176.53 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 74.1 110.883 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 178.66 143.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.25 111.163 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -158.9 95.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.935 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.591 HG12 HD12 ' A' ' 111' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 53.14 111.119 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 44.34 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 108' ' ' LEU . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 52.52 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 54.34 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.61 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 54.04 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 92' ' ' GLU . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 43.32 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.34 110.927 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 43.42 111.041 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 53.32 110.858 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 74.52 110.901 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD23 ' CB ' ' A' ' 85' ' ' ALA . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 HG12 ' A' ' 83' ' ' ILE . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.01 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 42.41 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.43 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 61.33 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 43.32 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.152 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.426 HG21 HD23 ' A' ' 23' ' ' LEU . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 137' ' ' ALA . 2.2 t -51.35 -68.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.11 39.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 45.22 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.08 137.26 36.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.55 110.921 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.29 82.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.835 -0.698 . . . . 55.14 112.534 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.742 2.295 . . . . 71.43 112.319 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 140' ' ' PRO . 7.7 m -37.7 154.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.819 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 170.07 8.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 73.13 110.858 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 72.1 112.537 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.514 -0.234 . . . . 55.23 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -149.45 163.36 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 65.11 110.904 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.55 149.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 53.2 110.78 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.87 143.86 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 75.45 112.466 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -174.97 128.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 51.34 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.07 175.1 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.889 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 50.34 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 53.34 112.467 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.05 115.94 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.299 . . . . 73.4 110.863 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 39.5 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.17 -34.25 16.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 44' ' ' VAL . 8.7 m-85 -89.53 84.68 6.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.03 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.2 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 62.43 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' HA ' HG21 ' A' ' 136' ' ' VAL . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 55.22 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.43 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 136' ' ' VAL . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 41.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.42 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 61.03 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.04 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.1 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 36' ' ' TRP . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 65.52 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 42.01 111.105 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 55.42 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 90' ' ' TRP . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 53.51 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 62.45 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 55.0 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 64.45 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.02 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 11' ' ' PHE . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.32 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 60' ' ' LEU . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 59' ' ' VAL . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 64.13 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.42 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 77' ' ' ALA . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 54.45 111.137 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -94.53 128.17 40.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.68 -75.48 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 65.45 112.526 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -137.94 116.99 12.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 73.2 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -113.06 -176.24 2.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 73.52 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -150.8 129.56 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.845 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 41' ' ' ALA . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.54 111.106 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.55 ' CG1' HD12 ' A' ' 111' ' ' LEU . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.084 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 43.33 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 44' ' ' VAL . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.769 ' HB2' HD12 ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.13 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.408 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 54.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.31 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 60.21 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 51.21 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 72.52 110.951 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.84 HD11 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 85' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.55 HD12 ' CG1' ' A' ' 83' ' ' ILE . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.912 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 70.34 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.84 HD12 HD11 ' A' ' 104' ' ' LEU . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 50.41 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 101' ' ' LEU . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.917 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.519 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.814 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 126' ' ' ALA . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 131' ' ' LYS . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 62.23 111.136 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.533 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.702 HG21 ' HA ' ' A' ' 19' ' ' TYR . 44.7 t -61.52 -58.08 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.21 111.128 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -42.83 95.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 64.35 111.108 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' VAL . 0.6 OUTLIER -164.36 131.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.836 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.76 166.7 38.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 65.23 112.486 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -179.45 2.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 71.12 112.313 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 167.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.4 t -168.27 130.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.876 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 62.32 112.477 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.238 . . . . 72.43 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.47 139.01 47.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 74.43 110.952 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.24 171.07 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 70.22 110.923 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.02 164.77 37.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 63.52 112.495 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 -169.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 72.34 110.86 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m 52.79 -176.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 74.51 110.831 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.89 166.69 12.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 72.21 112.511 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.69 153.86 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 74.34 110.828 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 43.89 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.5 mm? -87.4 24.77 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -149.58 74.67 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 53.23 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.2 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.55 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.3 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 63.54 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 61.41 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 62.53 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 61.2 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 90' ' ' TRP . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 73.03 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 45.52 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 33.22 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.569 ' N ' HG12 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 63.51 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.41 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 44.44 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 62.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 76' ' ' GLU . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.68 115.55 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.21 28.88 6.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.656 -0.783 . . . . 53.1 112.547 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.3 mt-10 -141.95 179.45 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 61.34 110.823 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 178.0 159.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 63.23 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.92 105.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.918 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 63.41 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.51 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 42.03 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 90' ' ' TRP . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.926 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 126' ' ' ALA . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 70.43 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.646 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 71.12 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.32 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 85' ' ' ALA . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.52 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.53 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 55.43 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.3 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 45.53 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 51.3 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 31.25 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.53 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 137' ' ' ALA . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.8 t -68.72 -36.56 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' ARG . . . -63.41 112.22 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.086 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.4 p -169.79 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.15 110.865 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.3 78.5 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 64.44 112.489 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.39 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 72.34 112.333 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -152.51 157.63 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 64.53 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 m -105.38 105.42 15.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.876 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.479 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.52 -0.232 . . . . 73.32 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 64.01 -173.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 73.13 110.895 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.05 170.01 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 51.44 110.897 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.29 -174.41 13.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.662 -0.78 . . . . 65.43 112.426 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.11 170.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 74.34 110.921 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m 63.36 160.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 34.43 110.917 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.59 137.87 4.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 50.31 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 -60.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.653 0.263 . . . . 53.41 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.06 168.61 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -112.07 -56.51 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.947 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.59 86.59 6.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 62.41 110.882 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.21 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' HB2' HG13 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 64.25 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 61.51 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 62.11 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 53.42 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.11 111.099 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 71.44 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 71.34 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 74.21 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.058 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 40.33 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 72.02 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 62.43 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.14 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 55.3 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 70.2 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 60' ' ' LEU . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 59' ' ' VAL . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 44.43 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.13 115.41 30.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.68 -74.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 71.12 112.511 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 73' ' ' VAL . 6.3 mt-10 -138.79 131.7 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 65.02 110.822 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.48 179.73 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.102 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -144.1 121.34 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.971 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 HD12 ' A' ' 111' ' ' LEU . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 34.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 53.04 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 71.31 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 61.44 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 103' ' ' ALA . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 54.01 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 83' ' ' ILE . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 44.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 34.53 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 119' ' ' LEU . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.17 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 116' ' ' ILE . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.888 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 70.3 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 73.25 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.508 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 63.43 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 64.42 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 72.24 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.9 t -68.98 -36.04 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.89 142.06 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 44.42 111.129 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.5 t -128.45 -50.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 75.32 110.839 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.37 170.01 18.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 63.31 112.546 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.7 37.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 72.34 112.35 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -64.32 157.87 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.2 120.6 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 73.33 110.82 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 73.25 112.473 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.419 -0.272 . . . . 74.41 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.4 143.97 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.945 0.402 . . . . 63.41 110.81 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.33 86.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 71.22 110.832 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 165.82 26.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.744 . . . . 71.33 112.48 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -178.09 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 74.13 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -104.9 164.76 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.916 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.16 149.2 18.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.702 -0.761 . . . . 73.41 112.452 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.1 159.45 26.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 55.52 110.912 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -40.8 136.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.13 -174.16 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 56.75 38.67 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.669 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 61.24 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' HA ' HG21 ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.01 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 41.52 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 62.01 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 54.33 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 90' ' ' TRP . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 40.44 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 71.2 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.22 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' N ' HG12 ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 60' ' ' LEU . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 61.33 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.35 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 74' ' ' GLU . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.41 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.558 ' N ' HG12 ' A' ' 73' ' ' VAL . 35.7 mt-10 -123.46 98.16 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.26 -39.05 3.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.1 mt-10 -77.39 -177.72 4.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 52.43 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 173.05 134.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.112 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.72 122.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.427 . . . . 72.02 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 41' ' ' ALA . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 70.12 111.129 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.135 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 31.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 64.53 111.16 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 51.12 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 42.42 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.68 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.2 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.884 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 50.5 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.23 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 55.23 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.24 110.932 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 63.33 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 104' ' ' LEU . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.171 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 53.55 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 60.5 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 101' ' ' LEU . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 65.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.11 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' TYR . 47.2 t -70.25 -50.62 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.071 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.28 82.82 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.097 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.01 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 65.33 110.837 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -176.65 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 61.33 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 71.13 112.337 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.8 p -80.53 134.19 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.809 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -109.05 148.1 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.33 112.485 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 60.12 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -158.38 133.12 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 73.01 110.88 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -167.94 141.68 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.816 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.88 140.85 11.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 63.32 112.399 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 175.85 96.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.969 0.414 . . . . 74.22 110.855 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -175.42 132.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.937 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.16 175.37 39.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.5 112.473 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -88.96 -51.46 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 64.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.88 140.27 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.02 -43.42 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 75.14 110.925 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 44' ' ' VAL . 95.1 m-85 -80.17 94.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.867 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 53.23 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 51.14 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' HD21 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 65.4 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 132' ' ' VAL . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 61.32 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 62.45 111.11 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 64.35 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 50.03 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 73.52 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 42.25 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 90' ' ' TRP . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 65.3 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 73.5 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 32.2 112.448 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.42 111.089 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 55.45 111.095 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 59' ' ' VAL . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 32.02 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 33.51 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 70.25 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 77' ' ' ALA . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.66 97.63 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 108.98 -97.85 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.31 112.44 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -111.49 124.69 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 72.1 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . . . -100.32 -179.72 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.136 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 HD12 ' A' ' 111' ' ' LEU . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.133 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 44.31 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 55.4 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.722 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 71.21 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.845 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 41.22 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.04 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' ' 92' ' ' GLU . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 52.23 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 126' ' ' ALA . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 43.14 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.952 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 41.22 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 53.35 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 104' ' ' LEU . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 65.12 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 83' ' ' ILE . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 54.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.4 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 104' ' ' LEU . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 62.11 111.182 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 55.15 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.33 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 126' ' ' ALA . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.03 111.134 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.455 ' CB ' HD23 ' A' ' 23' ' ' LEU . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.02 -55.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.081 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.09 116.61 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.114 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.4 t -163.47 -60.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.825 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.49 145.47 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 63.2 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 134.21 27.55 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.673 2.249 . . . . 65.44 112.349 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -46.11 79.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.2 p 179.87 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 72.11 110.832 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.538 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 75.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -166.05 129.94 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 61.2 110.848 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.31 146.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.12 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.13 97.27 1.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 63.53 112.458 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.34 90.65 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 55.51 110.843 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.14 124.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 45.51 110.899 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.26 159.81 21.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 75.53 112.511 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 ttm -88.1 -53.51 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 74.35 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.22 112.62 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.838 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -115.87 -46.56 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 73.14 110.957 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' HG11 ' A' ' 56' ' ' VAL . 21.1 m-85 -87.83 76.23 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.12 110.91 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.44 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 31.41 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 34.44 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.762 ' HA ' HG21 ' A' ' 136' ' ' VAL . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 43.14 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 60.0 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.6 ' OH ' HD13 ' A' ' 62' ' ' LEU . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 65.01 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.32 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 73.33 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 52.21 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 90' ' ' TRP . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 55.4 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 73.13 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 11' ' ' PHE . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD13 ' OH ' ' A' ' 29' ' ' TYR . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 42.44 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 31.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 62' ' ' LEU . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.41 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 60.52 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.207 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -97.6 133.64 41.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.43 -93.92 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 74.2 112.511 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 75.4 110.904 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.79 -179.07 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.21 111.103 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -132.31 121.74 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 64.31 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG22 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.599 HG13 HD12 ' A' ' 111' ' ' LEU . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.21 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 43.31 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 52.42 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.765 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 90' ' ' TRP . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 51.14 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 73.52 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 64.45 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.675 HD23 ' CB ' ' A' ' 126' ' ' ALA . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.93 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 54.45 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.805 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 103' ' ' ALA . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 61.2 110.889 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 103' ' ' ALA . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 83' ' ' ILE . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 44.52 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.413 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 64.34 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 104' ' ' LEU . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 116' ' ' ILE . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 62.11 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 43.53 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 71.05 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 71.24 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.675 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.929 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 54.44 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.529 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 19' ' ' TYR . 8.8 t -67.51 -52.71 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 44.21 111.083 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.5 125.81 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.13 111.11 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.9 t -177.97 174.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.834 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 59.9 150.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 75.23 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -44.23 2.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 63.2 112.364 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 m -152.36 134.4 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.839 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.8 t -122.22 130.62 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.25 112.486 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.455 -0.258 . . . . 53.43 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -139.54 145.51 38.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.418 . . . . 33.35 110.776 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -154.44 176.78 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.878 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 153.56 10.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 74.22 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.77 148.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 74.35 110.805 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -143.46 169.32 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 74.51 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -178.1 46.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.699 . . . . 33.41 112.532 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.89 -51.52 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 74.11 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.15 87.95 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' NE2' ' A' ' 91' ' ' GLN . 8.0 mt -107.83 36.01 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 51.42 110.872 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -155.56 42.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.9 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 52.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' HA ' HG21 ' A' ' 136' ' ' VAL . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.53 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 61.11 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 52.11 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 55.1 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 62.22 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 63.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 44.02 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 53.21 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.146 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 61.31 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 65.23 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 72.43 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 71.12 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 52.35 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 55.34 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 63.12 111.146 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.955 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 63.4 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 42.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 42.33 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' GLY . 26.3 mt-10 -96.07 123.68 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . . . 35.16 41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.764 -0.731 . . . . 44.41 112.424 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 mt-10 -154.04 -178.45 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 73.5 110.86 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 174.35 154.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 74.35 111.081 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -177.05 104.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 41' ' ' ALA . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.43 111.149 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.66 HD11 HD12 ' A' ' 111' ' ' LEU . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 52.31 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 65.43 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.547 HG21 ' HB3' ' A' ' 108' ' ' LEU . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' NE2' HD12 ' A' ' 10' ' ' LEU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' ' 130' ' ' VAL . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.589 ' HA ' HG23 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 50.04 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 70.24 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 65.5 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.33 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.61 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 64.14 112.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' CB ' ' A' ' 126' ' ' ALA . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 60.33 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.927 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 89' ' ' THR . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 71.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 42.22 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.418 ' CA ' HD21 ' A' ' 111' ' ' LEU . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.927 HD12 HD11 ' A' ' 104' ' ' LEU . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 42.34 111.054 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 116' ' ' ILE . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 71.41 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 65.05 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 64.34 110.923 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 94' ' ' LEU . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 32.21 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 19' ' ' TYR . 86.0 t -76.84 -58.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 65.43 111.101 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 36.75 90.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 64.24 111.086 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 150.62 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.863 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.84 59.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 52.25 112.472 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.09 68.02 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 74.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 99.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.41 110.87 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 175.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 61.25 110.902 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 70.24 112.457 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.462 -0.255 . . . . 73.33 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.67 96.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 70.25 110.83 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.34 178.66 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.86 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -74.13 -106.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 65.41 112.493 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 80.99 -48.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 73.14 110.81 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -35.95 128.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.83 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 75.2 112.465 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -50.05 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 71.13 110.914 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.42 101.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 62.53 110.883 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.59 -58.84 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 71.11 110.953 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' HD2' HG23 ' A' ' 58' ' ' VAL . 3.6 m-85 -80.93 96.8 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.888 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.34 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HZ2' HD21 ' A' ' 94' ' ' LEU . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.847 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 64.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.34 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.626 ' O ' HG22 ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 43.32 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 40.3 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 61.33 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 55.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 74.23 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 71.44 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 63.13 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 11' ' ' PHE . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 60' ' ' LEU . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' N ' HG12 ' A' ' 59' ' ' VAL . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD13 ' OH ' ' A' ' 29' ' ' TYR . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 50.22 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 76' ' ' GLU . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 -107.67 101.56 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.97 -19.39 46.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 60.13 112.482 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 73' ' ' VAL . 1.8 mt-10 -115.83 172.03 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 74.34 110.914 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.646 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . . . -168.58 169.94 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.066 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.27 118.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.84 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 62.41 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 60.23 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.71 ' CD1' HD12 ' A' ' 111' ' ' LEU . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.41 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 64.14 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.425 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 70.45 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 52.43 110.921 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 73.3 110.895 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 61.24 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.24 110.893 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 43.54 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 103' ' ' ALA . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 71.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.595 HD12 ' CB ' ' A' ' 104' ' ' LEU . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 54.43 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 52.12 111.168 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 40.12 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 70.31 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 63.1 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 33.21 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.683 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 62.3 110.867 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.404 ' HB ' HD23 ' A' ' 23' ' ' LEU . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 54.51 111.098 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.23 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.15 -56.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -51.65 106.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 55.34 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 31.4 t -159.64 -39.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.904 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 126.33 160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.501 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.81 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 72.33 112.282 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 140' ' ' PRO . 86.9 p -37.4 123.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.9 t -87.24 109.77 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 71.52 112.451 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.449 -0.26 . . . . 75.33 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.95 153.06 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 51.41 110.835 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -176.99 107.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.877 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -177.39 14.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.676 -0.773 . . . . 71.31 112.465 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.3 m -150.13 -62.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 71.42 110.853 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.2 m -35.48 130.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.883 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.17 137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 72.13 112.516 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ttt -111.93 -47.58 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 73.42 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.81 97.71 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 54.02 110.837 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.22 -59.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 74.34 110.912 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -86.59 85.95 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 62.12 111.114 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 54.25 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.5 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 55.01 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 71.11 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 125' ' ' ALA . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 60.44 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 63.43 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.115 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.789 HG22 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 71.5 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 64.4 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.25 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 55.1 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 64.11 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 63.5 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 23.21 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 74' ' ' GLU . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 61.21 111.095 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 16' ' ' ALA . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 60' ' ' LEU . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.7 m80 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 33.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HG3' HG23 ' A' ' 56' ' ' VAL . 3.9 mp0 -95.69 119.6 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.57 -82.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 50.35 112.506 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.2 122.75 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.52 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.3 161.82 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.044 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -124.89 117.7 24.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.942 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 41' ' ' ALA . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 72.31 111.127 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG12 HD12 ' A' ' 111' ' ' LEU . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.04 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 24.31 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.4 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.22 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.789 ' CD1' HG22 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 63.1 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.757 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 93' ' ' VAL . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.141 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.24 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 74.21 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 51.43 110.936 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 72.02 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 103' ' ' ALA . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 83' ' ' ILE . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.908 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.867 HD12 HD11 ' A' ' 104' ' ' LEU . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 52.21 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 65.15 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 42.33 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 33' ' ' ALA . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 62.11 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 63.21 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 62.22 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.45 -50.33 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.02 86.36 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.09 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.1 p -139.54 178.46 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 62.32 110.801 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 51.97 176.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.796 -0.716 . . . . 43.32 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 170.77 15.82 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 75.32 112.353 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.1 p -57.23 129.86 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.32 110.871 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.5 p -135.64 136.8 41.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.861 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 54.52 112.515 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 21.05 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -159.48 101.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 74.23 110.869 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.14 141.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.861 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.77 130.68 5.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 43.34 112.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 p -177.47 132.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 73.04 110.904 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -60.68 115.84 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.96 173.91 1.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.674 -0.774 . . . . 74.32 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -95.31 -51.37 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 62.51 110.894 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -102.97 104.24 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 62.13 110.906 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt -108.08 171.06 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 52.1 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 56.68 35.82 26.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 32.14 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 61.35 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 62.32 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HA ' HG21 ' A' ' 136' ' ' VAL . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 71.31 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' OH ' HD13 ' A' ' 62' ' ' LEU . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 61.41 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 64.14 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' TRP . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 40.13 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 63.31 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 72.21 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 53.24 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 61.3 111.088 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 45.23 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD13 ' OH ' ' A' ' 29' ' ' TYR . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.918 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 62.01 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.2 m80 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 70.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 63.32 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.55 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 65.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 52.32 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.86 124.47 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.51 -80.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 72.02 112.449 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -136.03 123.6 22.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 74.23 110.899 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -111.96 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 71.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.41 130.28 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.846 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HD1' HD21 ' A' ' 111' ' ' LEU . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 73.03 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 64.54 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 52.2 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.1 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 HD21 ' A' ' 109' ' ' LEU . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.117 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CD1' HG22 ' A' ' 44' ' ' VAL . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.905 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 44.42 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.54 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.892 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.05 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 64.32 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 51.31 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.82 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 43.03 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.417 HD21 ' HD1' ' A' ' 81' ' ' PHE . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.3 110.897 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 62.15 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.762 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 60.15 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 25.42 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 72.23 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.15 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.892 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 51.21 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 54.12 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.926 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.54 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 32.44 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 19' ' ' TYR . 61.1 t -72.85 -60.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 53.32 111.152 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.84 86.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.24 111.154 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.6 m -94.18 -46.03 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 63.24 110.884 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.34 165.94 27.55 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 74.22 112.522 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.68 2.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 73.24 112.392 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.43 103.13 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.51 110.865 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 p -57.0 -48.24 78.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 45.23 110.86 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.475 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 51.41 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -175.78 159.17 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 73.43 110.967 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -44.43 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.877 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.35 71.35 0.94 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.752 . . . . 52.42 112.446 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.48 167.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 75.15 110.862 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -106.98 142.61 36.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.811 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.93 93.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 63.15 112.514 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -39.19 -46.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 64.14 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.24 111.51 22.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.881 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.21 28.08 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.922 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 44' ' ' VAL . 83.2 m-85 -145.55 59.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.45 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.52 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 65.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 52.24 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' HA ' HG21 ' A' ' 136' ' ' VAL . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 53.24 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 132' ' ' VAL . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.879 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.52 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 53.01 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.52 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.23 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.24 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.51 111.093 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 90' ' ' TRP . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 54.23 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.2 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 71.53 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 70.54 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 63.14 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 74.4 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 74' ' ' GLU . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 73.13 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG12 ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.581 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 61.23 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 60.33 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 43.43 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 77' ' ' ALA . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 56' ' ' VAL . 31.9 mt-10 -91.76 137.19 32.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.75 -82.85 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.82 122.15 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 52.23 110.883 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -109.21 177.69 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.24 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -131.08 123.95 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.113 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 55.44 111.154 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.733 HG12 HD12 ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.14 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.664 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 63.4 110.868 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 54.44 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 61.21 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 61.03 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.874 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 54.3 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 73.04 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.924 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.874 HD12 ' HB2' ' A' ' 92' ' ' GLU . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 64.14 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 63.41 112.339 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 65.02 110.955 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.401 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.895 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 103' ' ' ALA . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.733 HD12 HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 61.33 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 70.44 111.256 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 104' ' ' LEU . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 61.03 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 71.34 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 61.32 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.499 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.33 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 23' ' ' LEU . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 54.34 111.137 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.614 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 14.2 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.24 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 19' ' ' TYR . 39.3 t -72.56 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.98 -161.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 51.32 111.097 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.26 161.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.854 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.19 91.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 71.51 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.0 46.73 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.664 2.243 . . . . 73.52 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.9 p -95.93 125.3 40.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 42.5 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.9 139.43 30.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.82 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 75.33 112.448 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 41.42 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -163.13 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 71.12 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 62.23 158.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 71.24 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.66 168.17 12.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 52.32 112.517 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.05 96.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 74.43 110.887 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.6 150.02 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.89 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.13 143.53 5.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 63.51 112.472 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -54.93 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 75.2 110.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.58 154.58 28.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' THR . 76.2 mt -110.63 176.97 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 40.75 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 10' ' ' LEU . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.764 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.714 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 54.54 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.32 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 55.54 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 53.32 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 54.01 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.33 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' HE1' ' A' ' 122' ' ' TYR . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 61.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 55.2 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 64.5 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.5 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 60.22 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 45.31 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 71.33 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 74' ' ' GLU . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 51.42 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.073 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.543 ' N ' HG12 ' A' ' 59' ' ' VAL . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 70.14 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m80 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 34.21 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 62.25 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 59' ' ' VAL . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.8 mt-10 -101.85 120.97 41.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.32 -82.43 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 64.55 112.516 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 74.13 110.92 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.85 167.6 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.42 111.138 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 112.91 16.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.43 110.856 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.597 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 63.52 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.806 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HD3' ' A' ' 100' ' ' PRO . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.41 111.104 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.764 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.9 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 72.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD3' HG13 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 104' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 51.25 111.117 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 61.22 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 62.5 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.02 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 60.31 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 61.25 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.444 HG13 HD12 ' A' ' 119' ' ' LEU . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 54.2 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 41.31 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 62.44 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 35' ' ' THR . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 33.02 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.503 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' VAL . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 52.44 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.24 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 19' ' ' TYR . 25.3 t -62.11 -46.38 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.13 145.99 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 72.14 111.022 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 94.1 p -172.56 114.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 63.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.91 177.11 30.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 63.14 112.514 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.84 -177.39 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 100.0 p -117.65 174.12 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 64.3 110.911 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.9 t -69.22 -54.92 12.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.852 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 32.43 112.44 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 62.24 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 151.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.31 110.855 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.34 93.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 71.22 110.864 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 65.3 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.14 125.54 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 70.21 110.909 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.31 97.61 0.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.791 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 162.63 13.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 52.02 112.399 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -163.98 127.57 2.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.691 0.281 . . . . 60.34 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' C ' HD22 ' A' ' 10' ' ' LEU . 8.0 mt-10 58.02 -175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.936 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.12 -58.89 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 64.1 110.907 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 -103.38 77.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 71.51 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 52.5 111.153 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 60.14 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 50.32 110.833 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 43.42 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 61.23 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 33.23 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 70.02 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 53.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 74.45 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 55.15 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 64.42 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 55.32 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 ' N ' HG12 ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 52.1 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.32 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 54.53 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 76' ' ' GLU . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 53.25 111.111 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.61 97.67 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 79.16 -42.51 2.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 71.2 112.483 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' HB3' HG11 ' A' ' 73' ' ' VAL . 2.7 mt-10 -68.75 176.29 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 72.44 110.892 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.55 117.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 75.31 111.158 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -132.49 130.25 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 70.1 110.875 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.24 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 108' ' ' LEU . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.685 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 72.32 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 55.54 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 64.14 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 61.21 112.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.974 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.42 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 89' ' ' THR . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 104' ' ' LEU . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 65.05 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 44.15 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.482 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.12 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 64.31 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 61.23 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 41.32 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.43 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 70.35 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.14 111.106 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 63.53 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 62.34 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 26' ' ' SER . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.52 111.1 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t -77.96 -47.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.14 97.16 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.053 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t -120.42 93.7 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.62 140.28 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.771 . . . . 52.15 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 159.63 52.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 74.31 112.362 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.0 t -117.69 -60.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m 60.56 129.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.829 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 71.2 112.513 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 64.52 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.86 152.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.893 0.378 . . . . 52.23 110.842 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -116.49 161.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 51.03 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.13 84.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 53.41 112.432 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.12 153.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.333 . . . . 73.14 110.861 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -46.16 26.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.896 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 138.41 3.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 64.52 112.505 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -138.39 -52.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 72.32 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -90.44 78.86 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -79.14 168.5 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.937 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 44' ' ' VAL . 64.4 m-85 65.29 70.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 45.33 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.599 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 132' ' ' VAL . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 45.41 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 53.44 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 64.35 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.052 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 31.45 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 51.2 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 54.2 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 61.12 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 43.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 50.55 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 51.24 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 41.2 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 54.21 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 64.01 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 63.11 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 60.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 64.2 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 51.24 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 65.34 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 65.32 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 54.23 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 51.1 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.167 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -98.16 120.59 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.9 -69.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 42.42 112.482 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -148.91 124.24 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 72.24 110.872 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -118.4 168.19 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.073 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -130.76 140.05 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.877 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.44 ' HD1' HD21 ' A' ' 111' ' ' LEU . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 62.53 110.83 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.97 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 63.35 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 53.23 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 64.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 64.5 110.954 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 52.44 111.108 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.776 HD11 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.939 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 65.23 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.13 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 103' ' ' ALA . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.04 110.933 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 45.34 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 104' ' ' LEU . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 61.4 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 116' ' ' ILE . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 60.21 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 52.11 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 52.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.56 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 71.2 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 23' ' ' LEU . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.167 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' TYR . 94.6 t -72.74 -59.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 72.31 111.121 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.06 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 44.53 111.112 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.87 151.87 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.834 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.47 70.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 52.43 112.44 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.27 . . . . 73.11 112.334 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.74 85.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.4 t -178.03 142.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 73.31 110.888 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 63.21 112.465 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 64.12 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.21 136.61 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 62.24 110.865 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 171.04 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 72.15 110.85 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.71 54.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.453 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -144.24 147.19 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 54.2 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -142.65 117.59 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.31 110.934 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.89 176.11 54.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 51.54 112.474 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -148.78 -49.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 50.13 110.885 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.06 168.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -80.65 -54.45 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.41 65.05 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 63.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.979 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 52.34 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 132' ' ' VAL . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 53.11 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.51 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.34 111.142 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 70.35 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 45.45 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 62.02 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.13 111.08 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.2 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.4 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 54.04 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -113.08 98.02 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.43 -47.36 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 63.04 112.539 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.22 179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 75.45 110.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . . . -177.78 168.69 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 54.05 111.06 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 177.08 133.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.875 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.103 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 HD12 ' A' ' 111' ' ' LEU . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 61.34 111.184 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.51 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 63.45 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 44.15 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 64.12 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 45.02 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.671 ' HB3' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.942 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.5 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 71.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 104' ' ' LEU . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 60.1 110.933 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 70.15 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 83' ' ' ILE . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 62.52 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 104' ' ' LEU . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 71.2 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 52.04 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.506 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 23' ' ' LEU . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.97 -59.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.122 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.01 100.9 7.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.128 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.1 p -102.72 110.31 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.32 110.912 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 55.25 84.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 60.4 112.487 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 163.12 39.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 72.13 112.315 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 90.05 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.856 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 137.4 54.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.871 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.444 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 71.43 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -135.04 178.14 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 74.51 110.832 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -107.85 137.92 45.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 53.11 110.828 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.22 -134.77 3.67 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.4 96.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 74.13 110.902 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 131.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 43.33 110.961 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 122.81 1.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 74.53 112.437 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -48.02 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.708 0.289 . . . . 72.33 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.24 111.31 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.21 -179.13 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 44' ' ' VAL . 63.0 m-85 65.36 40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.51 110.914 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 142' ' ' SER . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.106 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 62.35 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.21 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 132' ' ' VAL . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 54.3 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' OH ' HD13 ' A' ' 62' ' ' LEU . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 52.02 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 43.05 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.32 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.12 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 11' ' ' PHE . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 43.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 72.2 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 52.41 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 61.32 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 63.22 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 52.31 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 61.14 112.401 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 63.43 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.091 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 59' ' ' VAL . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD13 ' OH ' ' A' ' 29' ' ' TYR . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 62.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 44.42 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 50.13 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 60.33 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HG12 ' A' ' 73' ' ' VAL . 2.3 mm-40 -119.64 102.59 8.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 116.32 -92.09 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 73.24 112.474 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.28 117.21 15.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 61.52 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . . . -85.34 171.2 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 52.31 111.067 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.23 115.92 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.944 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 45.11 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.04 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 54.33 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 50.14 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.753 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 71.34 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 60.1 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.52 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 92' ' ' GLU . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 63.42 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 119' ' ' LEU . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 23.31 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 71.01 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.24 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 103' ' ' ALA . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 72.4 110.939 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' LEU . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 51.03 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 65.43 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 72.55 111.174 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 101' ' ' LEU . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 70.25 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 54.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 70.31 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 126' ' ' ALA . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 54.1 110.922 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 63.14 111.146 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 23' ' ' LEU . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 19' ' ' TYR . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.2 -60.76 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.118 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.59 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.093 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.21 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 53.53 110.862 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.71 65.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.23 112.532 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -49.1 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.747 2.298 . . . . 73.22 112.359 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 167.34 21.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 73.02 110.874 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 16.4 t -107.04 -50.13 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 22.45 110.825 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.672 -0.775 . . . . 71.42 112.523 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.932 0.396 . . . . 71.31 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 72.51 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.14 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.669 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 64.51 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 52.13 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' HD13 ' A' ' 62' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.55 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 72.21 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' HG12 ' A' ' 56' ' ' VAL . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 73.45 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 52.02 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 61.03 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 44' ' ' VAL . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 54.5 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HE2' ' A' ' 71' ' ' LYS . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 70.24 111.066 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' A' ' 29' ' ' TYR . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 64.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 52.31 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE2' HG21 ' A' ' 59' ' ' VAL . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 54.44 110.879 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.864 0.364 . . . . 75.22 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.15 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 87' ' ' LEU . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.943 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 108' ' ' LEU . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.149 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.02 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 71.42 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 73.43 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 72.23 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.915 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 103' ' ' ALA . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.11 110.895 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 70.21 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.49 HG13 HD12 ' A' ' 119' ' ' LEU . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.44 111.15 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.21 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 101' ' ' LEU . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 71.41 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.558 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.15 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.529 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.898 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.145 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.495 ' N ' HG13 ' A' ' 130' ' ' VAL . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.421 HG21 HD23 ' A' ' 23' ' ' LEU . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 61.02 111.1 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 19' ' ' TYR . 26.3 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.932 0.396 . . . . 70.34 110.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 53.52 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 55.31 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 52.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.14 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 42.24 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 54.43 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 60.03 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 41.42 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 65.11 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 44.03 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.33 111.087 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 62.15 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 55.21 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.23 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 45.12 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 64.42 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 64.03 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 11' ' ' PHE . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' LEU . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.109 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' N ' HG12 ' A' ' 59' ' ' VAL . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.45 110.913 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 60' ' ' LEU . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 72.13 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 53.54 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.21 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 61.43 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.51 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.411 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.3 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 55.11 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 108' ' ' LEU . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 53.13 111.19 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.757 ' CB ' HD12 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 53.42 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 44.02 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 72.3 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 45.44 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.557 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.627 ' HA ' HD23 ' A' ' 104' ' ' LEU . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 108' ' ' LEU . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.052 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 73.04 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 43.35 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 70.01 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 61.52 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 44.52 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 62.03 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.631 HG13 HD12 ' A' ' 119' ' ' LEU . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.11 111.1 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 54.21 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 116' ' ' ILE . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 73.25 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.04 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.418 HG21 HD23 ' A' ' 23' ' ' LEU . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.121 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.112 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.05 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 65.11 111.113 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.946 0.403 . . . . 62.41 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 71.23 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 60.32 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.44 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.02 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.3 111.067 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.25 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' HG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 71.42 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 62.22 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 90' ' ' TRP . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 54.34 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 74.15 112.374 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 73.2 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 61.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 54.04 112.541 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 65.53 111.07 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 45.53 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 64.34 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 63.2 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 60.51 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 51.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.5 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.862 0.363 . . . . 70.03 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 61.43 111.093 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 62.05 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 111' ' ' LEU . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 54.03 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 60.41 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 71.51 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.763 HG21 ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 63.32 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 65.04 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.62 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 32.12 112.387 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.12 110.929 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.855 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 83' ' ' ILE . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 62.23 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 70.55 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 53.05 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.23 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 104' ' ' LEU . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 42.35 111.172 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.23 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 61.3 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 63.22 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.62 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 51.03 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 130' ' ' VAL . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.3 111.064 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 71.33 111.085 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 44' ' ' VAL . 94.6 m-85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.908 0.385 . . . . 71.43 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CZ2' HD11 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.5 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 50.23 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 44.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 132' ' ' VAL . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.956 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 72.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 54.12 110.869 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 70.2 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 62.52 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 64.42 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 63.11 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 53.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 11' ' ' PHE . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 72.14 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 72.32 111.15 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 70.41 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 53.15 112.478 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' A' ' 44' ' ' VAL . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 53.1 111.078 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 63.43 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 60' ' ' LEU . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 59' ' ' VAL . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 62.4 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 41.14 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 71.12 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 63.34 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 71.12 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 52.5 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 60.4 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 73' ' ' VAL . 13.5 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 73.21 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.591 HG12 HD12 ' A' ' 111' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.513 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 53.14 111.119 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 44.34 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 108' ' ' LEU . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 52.52 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 54.34 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.61 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 54.04 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 92' ' ' GLU . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 43.32 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.34 110.927 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 43.42 111.041 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 53.32 110.858 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 74.52 110.901 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD23 ' CB ' ' A' ' 85' ' ' ALA . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 HG12 ' A' ' 83' ' ' ILE . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.01 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 42.41 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.43 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 61.33 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 43.32 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.152 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.426 HG21 HD23 ' A' ' 23' ' ' LEU . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.082 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 44' ' ' VAL . 8.7 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.94 0.4 . . . . 73.53 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.03 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.2 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 62.43 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' HA ' HG21 ' A' ' 136' ' ' VAL . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 55.22 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.43 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 136' ' ' VAL . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 41.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.42 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 61.03 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.04 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.1 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 36' ' ' TRP . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 65.52 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 42.01 111.105 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 55.42 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 90' ' ' TRP . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 53.51 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 62.45 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 55.0 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 64.45 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.02 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 11' ' ' PHE . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.32 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 60' ' ' LEU . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 59' ' ' VAL . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 64.13 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.42 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 54.45 111.137 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.849 0.356 . . . . 74.13 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 41' ' ' ALA . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.54 111.106 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.55 ' CG1' HD12 ' A' ' 111' ' ' LEU . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.084 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 43.33 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 44' ' ' VAL . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.769 ' HB2' HD12 ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.13 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.408 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 54.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.31 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 60.21 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 51.21 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 72.52 110.951 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.84 HD11 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 85' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.55 HD12 ' CG1' ' A' ' 83' ' ' ILE . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.912 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 70.34 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.84 HD12 HD11 ' A' ' 104' ' ' LEU . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 50.41 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 101' ' ' LEU . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.917 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.519 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.814 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 126' ' ' ALA . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 131' ' ' LYS . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 62.23 111.136 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.533 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.702 HG21 ' HA ' ' A' ' 19' ' ' TYR . 44.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.21 111.128 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.947 0.403 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 53.23 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.2 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.558 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.55 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.3 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 63.54 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 61.41 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 62.53 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 61.2 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 90' ' ' TRP . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 73.03 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 45.52 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 33.22 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.569 ' N ' HG12 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 63.51 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.41 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 44.44 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 62.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 57' ' ' ALA . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.89 0.376 . . . . 73.1 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 63.41 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.51 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 42.03 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 90' ' ' TRP . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.926 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 126' ' ' ALA . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 70.43 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.646 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 71.12 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.32 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 85' ' ' ALA . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.52 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.53 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 55.43 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.3 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 45.53 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 51.3 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 31.25 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.53 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.8 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 62.41 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.21 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' HB2' HG13 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 64.25 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 61.51 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 62.11 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 53.42 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.11 111.099 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 71.44 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 71.34 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 74.21 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.058 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 40.33 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 72.02 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 62.43 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.14 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 55.3 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 70.2 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 60' ' ' LEU . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 59' ' ' VAL . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 44.43 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.872 0.367 . . . . 71.42 110.971 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 HD12 ' A' ' 111' ' ' LEU . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 34.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 53.04 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 71.31 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 61.44 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 103' ' ' ALA . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 54.01 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 83' ' ' ILE . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 44.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 34.53 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 119' ' ' LEU . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.17 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 116' ' ' ILE . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.888 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 70.3 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 73.25 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.508 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 63.43 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 64.42 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 72.24 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.9 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.886 0.374 . . . . 74.51 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.669 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 61.24 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.591 ' HA ' HG21 ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.01 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 41.52 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 62.01 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 54.33 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 90' ' ' TRP . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 40.44 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 71.2 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.22 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' N ' HG12 ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 60' ' ' LEU . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 61.33 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.35 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 74' ' ' GLU . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.41 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.558 ' N ' HG12 ' A' ' 73' ' ' VAL . 35.7 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 72.02 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 41' ' ' ALA . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 70.12 111.129 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.135 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 31.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 64.53 111.16 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 51.12 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 42.42 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.68 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.2 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.884 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 50.5 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.23 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 55.23 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.24 110.932 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 63.33 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 104' ' ' LEU . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.171 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 53.55 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 60.5 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 101' ' ' LEU . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 65.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.11 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' TYR . 47.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.071 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 44' ' ' VAL . 95.1 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.908 0.385 . . . . 75.34 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 53.23 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 51.14 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' HD21 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 65.4 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 132' ' ' VAL . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 61.32 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 62.45 111.11 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 64.35 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 50.03 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 73.52 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 42.25 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 90' ' ' TRP . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 65.3 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 73.5 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 32.2 112.448 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.42 111.089 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 55.45 111.095 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 59' ' ' VAL . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 32.02 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 33.51 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 70.25 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 72.34 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 HD12 ' A' ' 111' ' ' LEU . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.133 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 44.31 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 55.4 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.722 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 71.21 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.845 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 41.22 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.04 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' ' 92' ' ' GLU . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 52.23 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 126' ' ' ALA . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 43.14 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.952 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 41.22 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 53.35 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 104' ' ' LEU . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 65.12 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 83' ' ' ILE . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 54.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.4 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 104' ' ' LEU . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 62.11 111.182 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 55.15 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.33 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 126' ' ' ALA . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.03 111.134 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.455 ' CB ' HD23 ' A' ' 23' ' ' LEU . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.081 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' HG11 ' A' ' 56' ' ' VAL . 21.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 64.12 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.44 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 31.41 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 34.44 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.762 ' HA ' HG21 ' A' ' 136' ' ' VAL . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 43.14 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 60.0 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.6 ' OH ' HD13 ' A' ' 62' ' ' LEU . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 65.01 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.32 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 73.33 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 52.21 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.765 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 90' ' ' TRP . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 55.4 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 73.13 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 11' ' ' PHE . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.6 HD13 ' OH ' ' A' ' 29' ' ' TYR . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.862 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 42.44 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 31.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 62' ' ' LEU . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.41 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 60.52 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.207 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 64.31 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG22 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.599 HG13 HD12 ' A' ' 111' ' ' LEU . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.21 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 43.31 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 52.42 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.765 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 90' ' ' TRP . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 51.14 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 73.52 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 64.45 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.675 HD23 ' CB ' ' A' ' 126' ' ' ALA . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.93 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 54.45 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.805 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 103' ' ' ALA . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 61.2 110.889 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 103' ' ' ALA . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 83' ' ' ILE . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 44.52 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.413 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 64.34 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 104' ' ' LEU . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 116' ' ' ILE . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 62.11 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 43.53 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 71.05 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 71.24 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.675 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.929 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 54.44 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.529 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 19' ' ' TYR . 8.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 44.21 111.083 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 75.43 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 52.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.592 ' HA ' HG21 ' A' ' 136' ' ' VAL . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.53 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 61.11 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 52.11 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 55.1 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 62.22 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 63.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 44.02 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 53.21 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.146 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 61.31 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 65.23 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 72.43 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 71.12 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 52.35 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 55.34 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 63.12 111.146 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.955 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 63.4 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 42.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 42.33 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.902 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 74.12 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 41' ' ' ALA . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.43 111.149 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.66 HD11 HD12 ' A' ' 111' ' ' LEU . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 52.31 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 65.43 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.547 HG21 ' HB3' ' A' ' 108' ' ' LEU . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' ' 130' ' ' VAL . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.589 ' HA ' HG23 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 50.04 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 70.24 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 65.5 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.33 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.61 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 64.14 112.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' CB ' ' A' ' 126' ' ' ALA . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 60.33 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.927 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 89' ' ' THR . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 71.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 42.22 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.418 ' CA ' HD21 ' A' ' 111' ' ' LEU . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.927 HD12 HD11 ' A' ' 104' ' ' LEU . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 42.34 111.054 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 116' ' ' ILE . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 71.41 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 65.05 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 64.34 110.923 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 94' ' ' LEU . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 32.21 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 19' ' ' TYR . 86.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 65.43 111.101 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.438 ' HD2' HG23 ' A' ' 58' ' ' VAL . 3.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.97 0.414 . . . . 73.35 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.34 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HZ2' HD21 ' A' ' 94' ' ' LEU . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.847 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 64.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.34 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.626 ' O ' HG22 ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 43.32 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 40.3 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 61.33 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 55.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 74.23 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 71.44 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 63.13 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 11' ' ' PHE . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 60' ' ' LEU . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' N ' HG12 ' A' ' 59' ' ' VAL . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD13 ' OH ' ' A' ' 29' ' ' TYR . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 50.22 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 64.13 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 62.41 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 60.23 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.71 ' CD1' HD12 ' A' ' 111' ' ' LEU . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.41 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 64.14 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.425 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 70.45 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 52.43 110.921 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 73.3 110.895 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 61.24 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.24 110.893 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 43.54 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 103' ' ' ALA . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 71.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.595 HD12 ' CB ' ' A' ' 104' ' ' LEU . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 54.43 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 52.12 111.168 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 40.12 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 70.31 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 63.1 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 33.21 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.683 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 62.3 110.867 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.404 ' HB ' HD23 ' A' ' 23' ' ' LEU . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 54.51 111.098 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.23 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.906 0.384 . . . . 71.4 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 62.12 111.114 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 54.25 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.5 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 55.01 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 71.11 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 125' ' ' ALA . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 60.44 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 63.43 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.115 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.789 HG22 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 71.5 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 64.4 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.25 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 55.1 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 64.11 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 63.5 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 23.21 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 74' ' ' GLU . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 61.21 111.095 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 16' ' ' ALA . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 60' ' ' LEU . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 33.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HG3' HG23 ' A' ' 56' ' ' VAL . 3.9 mp0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.855 0.359 . . . . 73.21 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 41' ' ' ALA . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 72.31 111.127 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.549 HG12 HD12 ' A' ' 111' ' ' LEU . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.04 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 24.31 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.4 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.22 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.789 ' CD1' HG22 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 63.1 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.757 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 93' ' ' VAL . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.141 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.24 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 74.21 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 51.43 110.936 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 72.02 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 103' ' ' ALA . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 83' ' ' ILE . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.908 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.867 HD12 HD11 ' A' ' 104' ' ' LEU . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 52.21 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 65.15 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 42.33 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 33' ' ' ALA . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 62.11 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 63.21 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 62.22 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 71.31 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 32.14 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 61.35 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 62.32 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HA ' HG21 ' A' ' 136' ' ' VAL . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 71.31 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' OH ' HD13 ' A' ' 62' ' ' LEU . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 61.41 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 64.14 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' TRP . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 40.13 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 63.31 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 72.21 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 53.24 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 61.3 111.088 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 45.23 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD13 ' OH ' ' A' ' 29' ' ' TYR . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.918 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 62.01 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 70.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 63.32 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.55 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 65.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 52.32 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 72.24 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HD1' HD21 ' A' ' 111' ' ' LEU . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 73.03 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 64.54 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 52.2 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.1 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 HD21 ' A' ' 109' ' ' LEU . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.117 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CD1' HG22 ' A' ' 44' ' ' VAL . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.905 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 44.42 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.54 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.892 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.05 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 64.32 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 51.31 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.82 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 43.03 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.417 HD21 ' HD1' ' A' ' 81' ' ' PHE . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.3 110.897 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 62.15 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.762 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 60.15 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 25.42 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 72.23 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.15 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.892 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 51.21 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 54.12 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.926 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.54 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 32.44 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 19' ' ' TYR . 61.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 53.32 111.152 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 44' ' ' VAL . 83.2 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.938 0.399 . . . . 54.45 110.863 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.52 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 65.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 52.24 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' HA ' HG21 ' A' ' 136' ' ' VAL . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 53.24 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 132' ' ' VAL . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.61 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.879 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.52 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 53.01 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.52 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.23 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.24 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.51 111.093 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 90' ' ' TRP . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 54.23 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.2 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 71.53 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 70.54 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 63.14 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 74.4 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 74' ' ' GLU . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 73.13 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG12 ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.581 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 61.23 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 60.33 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 43.43 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 56' ' ' VAL . 31.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 71.34 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.113 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 55.44 111.154 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.733 HG12 HD12 ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.14 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.664 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 63.4 110.868 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 54.44 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 61.21 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 61.03 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.874 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 54.3 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 73.04 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.924 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.874 HD12 ' HB2' ' A' ' 92' ' ' GLU . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 64.14 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 63.41 112.339 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 65.02 110.955 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.401 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.895 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 103' ' ' ALA . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.733 HD12 HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 61.33 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 70.44 111.256 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 104' ' ' LEU . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 61.03 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 71.34 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 61.32 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.499 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.33 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 23' ' ' LEU . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 54.34 111.137 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.614 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 14.2 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.24 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 19' ' ' TYR . 39.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.978 0.418 . . . . 73.13 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.764 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.714 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 54.54 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.32 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 55.54 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 53.32 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 54.01 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.33 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' HE1' ' A' ' 122' ' ' TYR . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 61.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 55.2 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 64.5 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.5 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 60.22 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 45.31 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 71.33 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 74' ' ' GLU . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 51.42 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.073 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.543 ' N ' HG12 ' A' ' 59' ' ' VAL . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CE2' ' CD2' ' A' ' 64' ' ' HIS . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 70.14 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 34.21 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 62.25 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 59' ' ' VAL . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.8 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 70.43 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.597 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 63.52 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.806 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HD3' ' A' ' 100' ' ' PRO . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.41 111.104 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.764 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.9 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 72.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD3' HG13 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 104' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 51.25 111.117 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 61.22 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 62.5 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.02 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 60.31 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 61.25 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.444 HG13 HD12 ' A' ' 119' ' ' LEU . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 54.2 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 41.31 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 62.44 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 35' ' ' THR . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 33.02 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.503 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' VAL . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 52.44 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.24 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 19' ' ' TYR . 25.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.966 0.412 . . . . 71.51 110.841 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 52.5 111.153 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 60.14 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 50.32 110.833 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 43.42 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 61.23 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 33.23 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 70.02 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 53.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 74.45 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 55.15 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 64.42 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 55.32 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 ' N ' HG12 ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 52.1 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.32 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 54.53 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 53.25 111.111 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.846 0.355 . . . . 70.1 110.875 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.24 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HE21 ' A' ' 91' ' ' GLN . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 108' ' ' LEU . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.685 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.437 HE21 HD11 ' A' ' 87' ' ' LEU . 7.4 mm-40 -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 72.32 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 55.54 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 64.14 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 61.21 112.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.974 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.42 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 89' ' ' THR . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 104' ' ' LEU . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 65.05 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 44.15 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.482 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.12 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 64.31 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 61.23 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 41.32 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.43 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 70.35 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.14 111.106 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 63.53 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 62.34 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 26' ' ' SER . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.52 111.1 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 44' ' ' VAL . 64.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.899 0.38 . . . . 73.24 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 45.33 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.599 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 132' ' ' VAL . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 45.41 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 53.44 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 64.35 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.052 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 31.45 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 51.2 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 54.2 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 61.12 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 43.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 50.55 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 51.24 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 41.2 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 54.21 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 64.01 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 63.11 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 60.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 64.2 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 51.24 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 65.34 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 65.32 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 54.23 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 51.1 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.167 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.849 0.357 . . . . 72.04 110.877 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.44 ' HD1' HD21 ' A' ' 111' ' ' LEU . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 62.53 110.83 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.97 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 63.35 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 53.23 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 64.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 64.5 110.954 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 52.44 111.108 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.776 HD11 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.939 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 65.23 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.13 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 103' ' ' ALA . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.04 110.933 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 45.34 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 104' ' ' LEU . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 61.4 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 116' ' ' ILE . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 60.21 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 52.11 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 52.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.56 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 71.2 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 23' ' ' LEU . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.167 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' TYR . 94.6 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 72.31 111.121 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.008 0.433 . . . . 64.35 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 63.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.979 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 52.34 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 132' ' ' VAL . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 53.11 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.51 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.34 111.142 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 70.35 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 45.45 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 62.02 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.13 111.08 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.2 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.4 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 54.04 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.873 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.934 0.397 . . . . 70.34 110.875 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.103 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 HD12 ' A' ' 111' ' ' LEU . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 61.34 111.184 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.51 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 63.45 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 44.15 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 64.12 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 45.02 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.671 ' HB3' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.942 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.5 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 71.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 104' ' ' LEU . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 60.1 110.933 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 70.15 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 83' ' ' ILE . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 62.52 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 104' ' ' LEU . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 71.2 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 52.04 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.506 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 23' ' ' LEU . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.122 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 44' ' ' VAL . 63.0 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.949 0.404 . . . . 71.51 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.106 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 62.35 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.21 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 132' ' ' VAL . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 54.3 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.603 ' OH ' HD13 ' A' ' 62' ' ' LEU . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 52.02 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 43.05 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.32 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.12 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 11' ' ' PHE . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 43.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 72.2 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 52.41 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 61.32 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 63.22 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 52.31 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 61.14 112.401 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 63.43 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.091 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 59' ' ' VAL . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD13 ' OH ' ' A' ' 29' ' ' TYR . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 62.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 44.42 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 50.13 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 60.33 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HG12 ' A' ' 73' ' ' VAL . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.801 0.334 . . . . 72.54 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 45.11 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.04 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 54.33 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 50.14 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.753 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 71.34 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 60.1 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.52 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 92' ' ' GLU . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 63.42 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 119' ' ' LEU . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 23.31 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 71.01 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.24 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 103' ' ' ALA . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 72.4 110.939 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' LEU . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 51.03 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 65.43 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 72.55 111.174 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 101' ' ' LEU . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 70.25 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 54.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 70.31 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 126' ' ' ALA . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 54.1 110.922 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 63.14 111.146 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 23' ' ' LEU . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 19' ' ' TYR . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.118 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 51.24 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.17 159.6 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.349 . . . . 74.02 110.885 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -148.96 166.96 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 61.54 110.827 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.87 -106.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 71.32 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 51.27 178.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 64.03 110.878 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m 65.74 133.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 61.31 110.835 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.55 6.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 74.02 112.481 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.4 -64.55 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.745 0.307 . . . . 74.53 110.852 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -69.37 121.14 16.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 72.23 110.91 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.5 -43.16 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 54.21 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -83.74 75.68 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.31 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.1 p -122.16 152.57 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 70.41 111.146 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -39.93 -41.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -54.67 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.142 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.68 -38.38 90.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.85 48.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 72.51 111.053 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.36 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.927 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.26 91.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.14 111.054 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.669 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.4 t80 -69.54 -22.46 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.93 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 1.4 t -82.76 -34.76 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 64.51 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -82.72 -30.63 28.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 52.13 110.872 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -30.34 70.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 64.03 110.887 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 29' ' ' TYR . 75.3 mt -68.73 -46.95 67.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.87 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.71 -24.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.886 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.12 -34.84 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.88 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -67.66 75.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.83 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.28 -53.84 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.3 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.32 -50.89 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.11 111.115 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' HD13 ' A' ' 62' ' ' LEU . 4.9 t80 -57.11 -58.62 7.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -46.99 -45.97 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 73.33 110.853 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -35.7 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.928 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.79 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.55 111.12 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -86.16 33.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.04 111.062 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.04 2.47 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.89 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.8 -32.25 6.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 74.53 111.107 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -50.05 142.05 10.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 72.21 110.933 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -146.01 87.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.922 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -163.61 32.94 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.748 -0.739 . . . . 70.32 112.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 p -130.87 148.12 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 74.52 110.882 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LEU . 30.8 tp -125.75 141.43 52.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.81 130.11 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.07 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.4 mt -102.4 99.77 9.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.93 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.87 150.17 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 54.24 111.129 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' HG12 ' A' ' 56' ' ' VAL . 70.1 t -126.12 129.31 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.155 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -50.73 142.85 15.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 73.45 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.99 10.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 72.32 112.404 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 48' ' ' PRO . 5.3 t70 -156.51 140.52 11.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.41 110.874 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.73 -41.74 4.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 74.55 112.383 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -39.55 -26.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.882 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -112.69 -17.19 12.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 52.02 111.084 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 91.84 42.14 4.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 61.22 112.526 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -141.3 83.0 13.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 72.23 110.909 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -7.51 21.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.244 . . . . 61.03 112.406 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -122.68 -20.97 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.884 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.18 155.1 30.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.47 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB ' ' A' ' 44' ' ' VAL . 4.6 p -112.21 147.5 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 74.43 111.13 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.02 112.64 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 54.5 111.118 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 t -100.9 120.4 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.192 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HE2' ' A' ' 71' ' ' LYS . 94.2 t -84.92 153.28 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 70.24 111.066 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' LEU . 97.9 mt -149.92 73.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.928 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 54.4 t0 -64.79 104.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.863 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' A' ' 29' ' ' TYR . 9.7 mt -99.46 122.39 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.924 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -112.63 105.64 13.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 65.25 110.884 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 49.63 48.06 21.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 64.41 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 80.92 -19.73 7.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 72.31 112.475 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -98.84 120.16 38.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 52.31 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.7 OUTLIER -50.57 151.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.03 110.877 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -121.3 -41.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.928 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.69 139.7 3.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 70.13 112.488 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.65 144.03 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.42 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE2' HG21 ' A' ' 59' ' ' VAL . 4.7 pttt -149.98 137.88 20.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.851 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.22 122.64 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.122 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.9 123.29 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.167 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.41 107.01 16.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 54.44 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.36 -120.51 3.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 61.24 112.497 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.92 114.53 25.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 64.33 110.866 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.4 -162.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 71.41 111.125 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -154.26 119.07 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.32 147.5 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.15 111.081 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.09 -22.52 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.884 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -141.14 102.38 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.893 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.3 t -109.51 125.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.103 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.403 ' CG1' HD12 ' A' ' 111' ' ' LEU . 73.7 mt -119.8 123.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.124 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -114.19 133.98 55.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 72.54 110.873 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.43 167.81 24.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.103 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.9 140.14 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.877 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 87' ' ' LEU . 8.2 tp -54.0 -34.83 60.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.943 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.471 HG21 ' HB3' ' A' ' 108' ' ' LEU . 88.4 m -71.11 -32.92 69.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 71.34 111.149 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -69.76 -36.03 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.02 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -61.23 -53.91 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 75.44 110.92 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -39.05 -60.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.833 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.9 t -46.85 -53.97 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 71.32 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.95 -38.62 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.923 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.53 -14.82 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 63.33 110.861 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.65 -9.75 76.71 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 71.42 112.49 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -79.05 -29.09 43.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 73.43 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -114.07 171.79 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 102' ' ' SER . 1.4 mp0 -121.76 152.38 58.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.612 0.72 . . . . 74.12 110.914 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.79 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.65 2.233 . . . . 72.23 112.341 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -76.9 -46.91 22.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.949 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 99' ' ' GLU . 0.3 OUTLIER -56.98 -30.68 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.888 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -71.8 -49.27 40.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 54.04 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.82 -25.13 65.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.915 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 mtp -82.0 -37.57 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.889 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.7 mtt-85 -69.79 -22.49 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.45 9.88 16.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 70.01 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 103' ' ' ALA . 28.5 mt -79.2 -57.08 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.88 0.372 . . . . 73.11 110.895 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.03 -175.39 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -161.07 119.55 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 53.32 110.909 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.403 HD12 ' CG1' ' A' ' 83' ' ' ILE . 17.3 tp -85.02 116.71 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.947 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.48 -44.75 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 70.21 110.904 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 3.6 tttt -98.5 -162.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.36 -149.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 72.11 112.472 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 8.4 t -155.85 160.08 39.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 65.33 111.137 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.49 HG13 HD12 ' A' ' 119' ' ' LEU . 16.1 tt -76.58 -28.17 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.44 111.15 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -13.52 18.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.21 111.112 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.43 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.52 -19.5 23.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.093 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' A' ' 101' ' ' LEU . 16.8 mt -84.72 -6.49 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 70.15 110.891 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.56 -60.97 4.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 75.21 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.7 Cg_endo -69.75 -28.41 25.31 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.607 2.205 . . . . 72.5 112.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.3 m-85 -103.8 52.75 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.911 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.37 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 71.41 111.108 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 126' ' ' ALA . 8.6 mt-30 -93.16 -40.47 10.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.928 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.25 -26.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.558 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -57.15 -49.43 75.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 71.05 111.123 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -43.51 -36.76 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -73.73 -45.43 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.15 110.911 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.529 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -56.66 -59.03 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.898 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.3 p -54.55 -46.05 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.145 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.495 ' N ' HG13 ' A' ' 130' ' ' VAL . 16.2 tptt -41.56 -64.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.926 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.421 HG21 HD23 ' A' ' 23' ' ' LEU . 96.6 t -59.92 -43.18 91.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.142 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -41.68 -41.12 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 61.02 111.1 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 10.2 mtp-105 -69.13 -47.92 63.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.833 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.96 -49.94 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 19' ' ' TYR . 26.3 t -57.01 -54.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.12 111.121 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.1 120.65 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.075 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.8 t -163.84 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.878 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.15 80.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 52.52 112.453 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -43.59 2.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 64.22 112.303 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -161.64 142.95 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 62.25 110.808 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.64 -49.52 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 71.23 110.919 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 73.32 112.491 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.254 . . . . 64.21 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.91 86.94 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 71.43 110.918 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 p -39.89 108.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 72.24 110.836 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.88 49.12 81.46 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 42.42 112.487 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 p -47.83 171.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 61.02 110.827 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.13 155.93 34.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 62.4 110.881 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.36 97.87 0.12 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.747 -0.74 . . . . 72.12 112.492 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.8 tpt -93.35 -65.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 72.04 110.905 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.94 104.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -118.41 176.07 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.921 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.607 ' CE2' HG21 ' A' ' 44' ' ' VAL . 77.6 m-85 56.7 35.1 25.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.93 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -95.87 144.36 26.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 53.52 111.117 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -38.54 -45.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 55.31 110.85 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.64 -50.35 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 52.32 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -63.17 -42.75 99.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 64.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.48 80.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 74.02 111.13 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -77.06 -50.83 12.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.41 -41.7 76.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.14 111.025 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 34.8 t80 -66.25 -31.32 72.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.63 -34.11 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.13 110.882 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -29.2 20.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -66.9 -30.86 71.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.887 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 19' ' ' TYR . 80.6 mt -71.13 -41.03 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.34 110.929 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -54.08 -24.42 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.912 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.57 -35.96 52.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 64.31 110.917 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 t -75.91 81.42 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 42.24 110.842 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -49.4 -45.4 46.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 65.21 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -47.23 51.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.065 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 23' ' ' LEU . 2.5 t80 -54.42 -59.44 4.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 71.31 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 28.9 ttt180 -49.37 -36.33 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 75.05 110.841 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -68.67 -31.94 71.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.888 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.8 -43.07 23.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 54.43 111.088 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.69 32.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 34.01 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.1 p -68.91 143.67 54.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 60.03 110.916 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.05 -35.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.209 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.408 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.0 t-105 -40.4 116.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.888 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.19 131.02 56.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.25 -0.432 . . . . 60.23 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.85 175.07 14.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.541 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 38.7 p -115.28 150.11 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 75.01 110.886 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.2 tp -109.81 138.57 46.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 72.2 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.82 120.74 32.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.44 100.34 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 72.55 110.908 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.83 148.07 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 41.42 111.096 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 11' ' ' PHE . 85.0 t -124.32 128.55 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.123 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.2 141.47 20.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.605 0.717 . . . . 65.11 110.88 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.72 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.251 . . . . 44.03 112.361 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -161.53 139.04 6.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.701 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.64 10.44 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.648 2.232 . . . . 74.42 112.405 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -40.91 -38.72 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.11 -32.69 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 53.33 111.087 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.99 36.42 1.51 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.689 -0.767 . . . . 62.15 112.429 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.17 81.52 7.42 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.64 0.733 . . . . 55.21 110.834 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 63.3 112.34 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -114.43 -35.73 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 64.23 110.868 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.81 156.32 16.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.684 -0.77 . . . . 45.12 112.498 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -136.3 151.28 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 64.42 111.099 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -140.73 138.76 34.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 64.03 111.045 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG21 ' HA ' ' A' ' 11' ' ' PHE . 19.8 t -113.5 124.53 70.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.102 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 60' ' ' LEU . 32.5 t -88.24 160.05 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.109 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' N ' HG12 ' A' ' 59' ' ' VAL . 73.6 mt -153.47 79.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 72.45 110.913 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 34.3 t0 -67.49 101.43 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.13 110.856 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 60' ' ' LEU . 5.4 mt -103.5 163.6 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.898 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.454 ' NE1' ' OD1' ' A' ' 61' ' ' ASP . 98.9 m95 -155.29 104.13 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.458 . . . . 72.13 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.5 m170 65.76 30.31 10.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.74 -13.64 67.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 53.54 112.486 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -101.44 130.55 47.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 63.12 111.14 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.11 178.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 53.21 110.901 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -160.23 -54.66 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.908 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.56 147.87 19.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.665 -0.779 . . . . 65.05 112.446 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.16 128.43 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 75.13 111.119 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -145.4 155.41 43.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.87 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.97 158.77 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 60.11 111.095 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 73.2 t -136.84 129.27 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.15 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -100.09 105.85 17.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.53 -83.94 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.789 -0.719 . . . . 31.45 112.512 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -153.24 123.51 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 71.31 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 73' ' ' VAL . . . -103.17 168.78 8.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 65.33 111.109 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -141.02 130.96 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 61.43 110.877 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.73 173.53 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.04 111.122 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.42 -48.9 2.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 55.51 110.944 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.411 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 97.0 m-85 -127.52 129.99 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.871 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 96.5 t -134.45 125.22 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 64.3 111.084 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 mt -125.51 124.99 68.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.071 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.24 130.58 56.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.889 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.64 167.23 25.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.128 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -53.06 140.85 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.856 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 29.9 tp -55.34 -43.54 75.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 55.11 110.954 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.54 -51.83 33.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 52.24 111.095 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.489 HG21 ' HB3' ' A' ' 108' ' ' LEU . 27.9 m -59.06 -32.89 70.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 53.13 111.19 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.607 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.0 m95 -72.05 -44.2 63.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -60.29 -32.05 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.05 110.955 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.757 ' CB ' HD12 ' A' ' 98' ' ' LEU . 2.8 mm-40 -62.58 -61.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.21 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 p -55.01 -41.28 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.151 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -30.64 70.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 53.42 110.916 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.6 -32.91 64.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.82 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.94 6.06 23.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.77 -0.728 . . . . 44.02 112.521 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -94.3 -34.69 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 72.3 110.887 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 92' ' ' GLU . 5.5 mt -106.57 -177.38 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 45.44 110.896 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.14 148.19 68.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 72.43 110.85 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.557 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.65 -43.38 2.78 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.739 2.292 . . . . 75.52 112.356 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.627 ' HA ' HD23 ' A' ' 104' ' ' LEU . 3.1 mm? -77.49 -43.26 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.939 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -58.79 -54.66 44.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.855 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 108' ' ' LEU . . . -51.42 -58.77 5.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.052 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.12 -30.23 47.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.934 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -21.95 25.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 74.53 110.876 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 102' ' ' SER . 39.3 mtt180 -83.9 -24.29 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 73.04 110.865 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.45 22.9 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 43.35 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.506 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 21.4 mt -95.01 -47.73 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 70.01 110.911 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.605 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.7 mt -95.2 179.12 5.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 61.12 110.849 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.63 113.62 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.941 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.4 tp -85.38 109.36 18.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 64.21 110.929 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.56 -51.51 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 61.52 110.904 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.59 -160.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 44.52 110.879 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -145.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 62.03 112.542 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.2 t -165.05 141.73 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 64.42 111.115 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.631 HG13 HD12 ' A' ' 119' ' ' LEU . 13.5 tt -60.02 -31.5 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.11 111.1 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.84 -12.25 4.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.082 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -96.27 -15.08 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 54.21 111.134 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 116' ' ' ILE . 24.6 mt -85.57 -12.47 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.05 -61.79 1.41 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 73.25 111.119 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.71 -39.55 6.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.732 2.288 . . . . 75.34 112.362 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.5 m-85 -89.22 50.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.906 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.34 -42.84 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.12 111.109 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 125' ' ' ALA . 24.8 mm-40 -79.13 -47.95 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.941 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 124' ' ' GLN . . . -36.22 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.54 111.094 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.557 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -46.89 -50.83 18.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 62.14 111.102 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -31.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.894 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.74 -58.63 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.521 HD23 ' OH ' ' A' ' 19' ' ' TYR . 0.3 OUTLIER -42.83 -47.62 5.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 72.04 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.4 t -59.97 -57.22 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.1 111.141 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.1 ttpt -34.41 -64.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.865 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.418 HG21 HD23 ' A' ' 23' ' ' LEU . 98.3 t -60.42 -41.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.121 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.19 -25.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 62.32 111.112 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 134' ' ' ARG . 7.2 mtm105 -85.39 -49.93 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.05 110.859 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -37.38 -54.19 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.877 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -49.56 -59.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 65.11 111.113 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.76 109.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 60.32 111.098 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.75 -48.94 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.917 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.2 86.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 63.42 112.502 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 1.25 4.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 62.55 112.323 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.4 m -169.14 150.45 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.819 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -92.47 127.63 38.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 60.14 110.863 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.54 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 112.535 -0.226 . . . . 75.44 112.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -178.85 -55.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 75.5 110.863 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.24 152.24 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.882 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.02 53.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 53.51 112.514 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -63.26 114.22 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 74.24 110.805 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 110.42 12.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 73.41 110.865 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.83 -122.1 5.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 34.41 112.465 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -145.44 -58.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 64.44 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -70.56 130.88 43.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.855 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -110.37 -34.45 6.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 72.41 110.885 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -90.03 78.94 6.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.41 110.879 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -124.89 177.6 5.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 71.23 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -30.73 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 73.41 110.981 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -60.04 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 73.13 111.112 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -60.37 -33.91 73.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.53 78.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.095 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -73.15 -53.02 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.922 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 -35.38 60.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.174 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -69.91 -22.5 63.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.952 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.4 t -77.5 -33.09 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 52.31 110.862 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -31.51 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 60.32 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -32.44 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.852 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 65.7 mt -72.95 -34.7 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.925 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.18 -20.07 63.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.835 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -83.3 -30.2 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.862 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.09 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 43.31 110.873 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.95 -40.32 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.44 110.9 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.85 79.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.02 111.075 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 6.1 t80 -50.94 -59.05 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.894 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -49.49 -46.71 48.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.83 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -59.93 -34.61 73.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 71.42 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -70.62 -48.86 52.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.3 111.067 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.09 36.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 71.25 111.104 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' HG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -72.74 147.48 45.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 71.52 110.849 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 76.69 -5.11 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.073 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.53 132.87 46.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 71.42 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -127.09 142.96 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.891 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.16 179.89 19.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.779 -0.724 . . . . 73.44 112.539 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.0 p -122.07 146.25 47.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.92 0.39 . . . . 73.24 110.838 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -105.54 154.76 19.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 72.02 110.974 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.1 118.46 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 62.22 111.13 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.27 97.56 8.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.88 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.14 139.94 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 73.54 111.12 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 90' ' ' TRP . 56.2 t -120.92 124.78 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 54.34 111.183 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -56.35 148.1 44.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 74.42 110.843 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.6 Cg_endo -69.82 147.56 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.582 2.188 . . . . 74.15 112.374 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t0 179.93 139.15 0.3 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.689 . . . . 71.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.72 7.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.245 . . . . 73.2 112.386 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -39.27 -35.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 71.13 110.898 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -98.01 -29.88 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 61.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.06 38.41 2.0 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.457 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -150.52 81.81 6.44 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.691 0.758 . . . . 73.42 110.873 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.89 -0.02 6.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 72.34 112.3 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 17.4 tptt -111.99 -43.02 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.944 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . 128.37 175.52 14.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 54.04 112.541 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -163.4 145.31 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.378 . . . . 75.4 111.133 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -131.91 163.25 28.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 65.53 111.07 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.69 112.69 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 71.42 111.14 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.47 150.11 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 71.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.4 mt -146.75 84.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.901 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' OD1' ' CD1' ' A' ' 63' ' ' TRP . 2.3 t0 -64.82 105.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 45.53 110.869 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.26 162.56 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.965 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.442 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 72.2 m95 -159.61 94.48 1.16 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.409 . . . . 64.34 110.879 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m170 69.88 42.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 63.2 110.837 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.06 -14.83 25.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.814 -0.707 . . . . 64.13 112.462 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.14 137.48 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 62.22 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.77 172.71 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -155.21 -48.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.819 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.48 157.17 25.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 75.11 112.498 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.73 135.47 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 60.51 111.031 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.85 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 51.44 110.942 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.29 139.61 30.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.084 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 57' ' ' ALA . 11.7 t -111.68 159.58 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 74.01 111.182 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.5 mp0 -105.4 121.51 44.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.858 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . 38.01 41.62 1.01 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 44.44 112.504 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 6.7 mt-10 -152.86 -175.61 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 71.21 110.85 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 172.92 126.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 35.52 111.089 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 1.2 tp10 -153.56 126.4 8.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.873 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.38 177.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 61.43 111.093 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -32.17 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 92.3 m-85 -138.76 121.97 16.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.914 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.1 t -125.07 137.19 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 62.05 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG12 HD12 ' A' ' 111' ' ' LEU . 62.3 mt -138.49 123.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -114.84 137.21 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 54.03 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.21 173.63 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 60.41 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -71.75 126.01 28.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 62.44 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.58 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 24.2 tp -39.49 -51.94 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 71.51 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.83 -41.19 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 62.4 111.094 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.763 HG21 ' HB3' ' A' ' 108' ' ' LEU . 36.5 m -70.74 -42.86 69.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.11 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.3 m95 -57.35 -53.45 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.935 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' GLU . 4.0 mt-30 -46.25 -57.95 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 65.1 110.896 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.8 mt-10 -35.93 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 65.41 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.6 t -43.48 -55.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 70.22 111.173 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -36.75 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.925 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -65.83 -10.47 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.71 -12.46 61.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.697 -0.763 . . . . 61.32 112.481 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -72.95 -36.31 67.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 63.32 110.857 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 92' ' ' GLU . 2.4 mm? -111.78 171.23 7.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 65.04 110.972 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.11 153.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 65.21 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.62 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 -49.1 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 32.12 112.387 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' CD1' ' HB2' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -82.4 -51.37 7.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 53.12 110.929 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -45.31 -51.47 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 63.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -50.44 -53.61 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.109 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -54.63 -31.99 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.952 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -37.15 48.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.854 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 14.7 mtp-105 -70.61 -17.03 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 34.72 4.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 71.45 112.48 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.763 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -102.78 -42.55 5.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.971 0.415 . . . . 75.3 110.975 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 10.1 mt -99.57 -169.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 64.15 110.855 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.43 114.31 1.02 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.89 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.528 HD12 HG12 ' A' ' 83' ' ' ILE . 6.8 tp -86.79 112.85 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 62.23 110.926 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -86.46 -46.8 9.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.965 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.21 -173.65 3.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 70.55 110.878 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 36.56 -152.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 53.05 112.485 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 5.5 t -154.11 154.06 32.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 71.23 111.173 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 104' ' ' LEU . 3.7 tt -69.96 -29.68 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 42.35 111.172 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.66 -9.46 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.043 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.97 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 64.23 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 mt -104.1 -1.59 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.994 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -46.03 -60.46 3.51 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 61.3 111.12 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.8 Cg_endo -69.68 -30.96 21.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 75.3 112.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -101.27 51.23 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.918 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -91.96 -22.71 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 63.22 111.087 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 126' ' ' ALA . 12.1 pt20 -91.02 -45.74 8.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.918 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.486 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -40.01 -25.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 73.52 111.074 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.62 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -55.39 -48.97 73.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 51.03 111.1 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.16 -36.96 14.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -66.43 -58.44 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.9 mt -41.54 -60.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 70.11 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 5.7 p -55.33 -42.23 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 72.11 111.153 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 130' ' ' VAL . 27.0 tttt -46.1 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 62.2 110.865 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.97 -35.01 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.105 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -46.93 -36.13 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.3 111.064 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -46.22 46.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.94 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 -45.8 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' ALA . 47.0 t -56.98 -66.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 71.33 111.085 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 35.57 89.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 44.22 111.121 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.21 -173.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.833 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.79 65.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 33.04 112.497 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -41.41 4.39 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.727 2.285 . . . . 61.12 112.352 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' PRO . 77.3 p -36.69 -41.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.912 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.4 m 44.55 44.54 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.816 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 33.35 112.447 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.422 -0.271 . . . . 62.31 112.422 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -155.78 -178.76 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.968 0.413 . . . . 52.12 110.799 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -163.68 171.43 15.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.059 -0.518 . . . . 44.12 110.815 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.37 161.19 11.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 70.11 112.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -153.95 128.2 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 71.14 110.824 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.96 126.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.857 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.26 149.7 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.797 -0.716 . . . . 74.44 112.531 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -48.57 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 63.33 110.925 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.21 125.04 41.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.849 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.35 -47.68 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 72.5 110.908 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' CE2' HG21 ' A' ' 44' ' ' VAL . 94.6 m-85 -78.37 72.63 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.895 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.5 p -129.05 144.75 51.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.181 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.02 -34.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.889 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.65 19.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.061 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CZ2' HD11 ' A' ' 94' ' ' LEU . 85.1 t90 -61.02 -37.7 83.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.95 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -43.47 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 53.5 111.119 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -69.48 -44.53 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.882 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.2 78.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 74.43 111.134 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.24 -19.19 65.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.956 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 67' ' ' CYS . 45.0 t -80.71 -38.16 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 50.23 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -83.67 -32.87 25.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -60.68 -26.44 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 44.13 110.888 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 132' ' ' VAL . 67.9 mt -73.71 -37.89 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 53.32 110.956 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -58.25 -21.86 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.19 -32.72 50.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -80.94 90.12 5.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 63.31 110.798 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -53.24 -34.33 56.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -56.3 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 72.34 111.104 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -46.56 -54.5 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 70.45 110.984 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -48.29 -42.9 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 54.12 110.869 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -68.94 -28.89 67.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.65 -53.6 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 74.54 111.141 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 30.96 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 61.04 111.103 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 148.37 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 70.2 110.879 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 p 46.78 24.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.093 -0.503 . . . . 62.52 111.1 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 5.9 t-105 -49.81 -63.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.33 110.964 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HA ' ' CE3' ' A' ' 63' ' ' TRP . 41.0 mt-10 62.8 127.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.889 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.94 169.57 16.82 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.783 -0.722 . . . . 64.42 112.51 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 p -119.77 146.44 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 63.11 110.876 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.93 150.64 28.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -142.15 111.66 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 53.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.0 mt -90.01 102.02 14.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 84' ' ' GLU . . . -83.09 156.92 23.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 11' ' ' PHE . 75.2 t -138.85 117.77 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 75.21 111.122 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.9 142.46 9.33 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 72.14 110.867 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.3 Cg_endo -69.8 139.67 40.65 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 72.32 112.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.12 136.76 0.74 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 52.41 110.848 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.78 19.74 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 74.1 112.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -27.34 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.891 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.39 -27.85 11.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 72.32 111.15 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.33 35.89 2.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 70.41 112.523 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -152.49 79.07 6.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 75.31 110.915 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.74 7.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.657 2.238 . . . . 64.22 112.33 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 4.0 tptm -111.03 -43.09 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.923 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 75' ' ' GLY . . . 129.31 170.54 12.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 53.15 112.478 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG13 ' HB ' ' A' ' 44' ' ' VAL . 7.7 p -157.93 134.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.914 0.388 . . . . 73.53 111.081 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -133.43 123.16 24.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 53.1 111.078 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.1 t -95.62 126.01 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 63.43 111.157 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 60' ' ' LEU . 13.0 t -88.85 159.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.04 111.148 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 59' ' ' VAL . 58.5 mt -154.44 80.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.915 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -64.78 107.38 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 62.4 110.864 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.6 mt -106.67 162.19 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 41.14 110.856 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 37' ' ' GLU . 12.3 m95 -158.51 119.37 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.918 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 m170 54.51 16.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 71.12 110.864 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -24.93 25.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.707 -0.758 . . . . 63.34 112.441 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -88.52 143.07 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.363 . . . . 74.53 111.033 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -77.37 142.03 39.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 62.4 110.907 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -112.85 -53.68 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.838 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.24 165.96 30.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 71.12 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.78 147.52 23.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 52.5 111.133 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -159.62 145.96 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 70.11 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.81 149.07 24.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 60.4 111.077 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 74' ' ' GLU . 83.6 t -123.49 158.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.133 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 73' ' ' VAL . 13.5 mt-10 -112.38 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' GLY . . . 45.44 33.11 4.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 44.31 112.492 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 mt-10 -150.03 176.53 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.855 0.36 . . . . 74.1 110.883 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 178.66 143.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.25 111.163 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -158.9 95.07 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.935 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 155.33 34.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.165 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.81 -47.18 1.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.11 110.829 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.24 115.03 22.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.9 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.06 137.09 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.122 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.591 HG12 HD12 ' A' ' 111' ' ' LEU . 45.2 mt -137.16 126.43 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 14.8 tt0 -118.99 136.79 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.882 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.513 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.69 171.53 17.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 53.14 111.119 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -67.4 128.13 35.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.895 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.9 tp -40.38 -49.29 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.916 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.69 -44.25 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 44.34 111.147 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 108' ' ' LEU . 96.8 m -65.86 -39.02 90.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 52.52 111.137 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.8 m95 -63.74 -61.71 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.977 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' TRP . 2.5 mt-30 -37.64 -40.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 54.34 110.939 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.61 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.3 mt-10 -54.61 -67.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.874 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.6 p -54.47 -29.45 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.34 111.152 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.526 HD11 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -71.84 -29.64 64.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 54.04 110.931 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.55 -26.43 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.98 -16.92 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 75.23 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -69.58 -42.59 74.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.848 0.356 . . . . 72.11 110.893 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' A' ' 92' ' ' GLU . 2.0 mm? -97.05 170.69 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.976 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.5 145.95 50.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.667 0.746 . . . . 74.14 110.946 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.7 Cg_endo -69.65 -42.62 3.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.796 2.331 . . . . 43.32 112.346 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -81.93 -43.69 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.34 110.927 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -41.17 98.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.854 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -62.21 -45.86 91.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 43.42 111.041 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.714 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -65.32 -20.14 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 53.32 110.858 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -70.93 -22.39 62.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.893 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.21 26.65 4.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 61.4 112.49 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' HG21 ' A' ' 89' ' ' THR . 31.5 mt -96.12 -52.59 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 74.52 110.901 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD23 ' CB ' ' A' ' 85' ' ' ALA . 29.3 mt -92.93 174.53 7.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.976 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -154.49 107.69 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.22 110.858 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.591 HD12 HG12 ' A' ' 83' ' ' ILE . 11.2 tp -74.55 100.19 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.95 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -70.59 -41.66 72.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.92 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -94.48 -172.47 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 73.01 110.919 179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.61 -141.26 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.496 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.4 t -160.93 151.41 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.286 . . . . 72.41 111.14 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 10.7 tt -63.74 -33.87 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 73.13 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.01 -10.7 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 75.11 111.084 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.42 -15.83 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 42.41 111.112 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 120' ' ' ALA . 14.1 mt -92.2 -10.56 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 61.43 110.949 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -34.63 -60.81 0.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 61.33 111.158 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.87 -43.37 2.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.624 2.216 . . . . 61.35 112.341 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 12.8 m-85 -84.35 48.23 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.954 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.19 -38.06 18.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 65.34 111.088 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.907 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.75 -27.17 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.111 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -64.06 -34.38 77.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 61.34 111.132 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -56.67 -23.96 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -80.26 -49.2 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.32 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -48.97 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 43.32 110.84 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.15 -37.51 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.32 111.152 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -53.52 -52.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.55 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.426 HG21 HD23 ' A' ' 23' ' ' LEU . 30.2 t -73.45 -22.24 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.142 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.82 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.063 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -65.33 -16.96 64.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.887 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.63 -52.47 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 74.03 110.908 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 137' ' ' ALA . 2.2 t -51.35 -68.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 72.25 111.082 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.11 39.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 45.22 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.08 137.26 36.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.55 110.921 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.29 82.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.835 -0.698 . . . . 55.14 112.534 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.9 Cg_endo -69.69 -175.94 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.742 2.295 . . . . 71.43 112.319 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 140' ' ' PRO . 7.7 m -37.7 154.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.43 110.819 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.4 m -112.97 170.07 8.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 73.13 110.858 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 72.1 112.537 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.514 -0.234 . . . . 55.23 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -149.45 163.36 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 65.11 110.904 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.55 149.16 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 53.2 110.78 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.87 143.86 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 75.45 112.466 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -174.97 128.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 51.34 110.873 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.07 175.1 14.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.889 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.39 50.34 0.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 53.34 112.467 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.05 115.94 9.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.729 0.299 . . . . 73.4 110.863 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 39.5 91.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.929 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.17 -34.25 16.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 74.23 110.857 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 44' ' ' VAL . 8.7 m-85 -89.53 84.68 6.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.865 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' TRP . 26.7 p -135.39 144.39 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.074 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' THR . 3.2 tt0 -37.29 -37.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.84 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.77 -48.6 76.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.03 111.087 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' THR . 73.5 t90 -67.0 -40.73 87.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.2 110.902 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.73 95.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.137 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -76.02 -56.57 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.75 -46.62 50.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 62.43 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' HA ' HG21 ' A' ' 136' ' ' VAL . 18.8 t80 -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 72.0 110.962 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -67.83 -37.81 82.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 55.22 110.865 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -32.71 23.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 72.43 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 136' ' ' VAL . 9.7 tptt -62.39 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.3 110.93 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.2 mt -76.55 -41.86 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.932 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -57.66 -19.27 25.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.21 110.85 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.39 -32.47 26.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 41.34 110.892 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -77.35 100.28 5.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.42 110.912 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.09 -37.93 89.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 61.03 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.39 81.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.04 111.113 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.584 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.6 t80 -60.96 -61.67 2.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.53 110.917 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -46.17 -44.29 15.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.911 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -68.32 -36.91 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.1 110.904 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -56.25 -65.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 65.14 111.182 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 36' ' ' TRP . . . -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.089 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 60.4 128.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 65.52 110.846 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.37 2.21 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 62.52 111.135 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 19.1 t-105 -61.8 116.02 4.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.04 110.913 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.52 133.02 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.842 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.02 157.33 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 73.3 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.2 p -97.51 149.02 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 71.13 110.877 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.88 118.22 35.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.904 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -106.73 114.97 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 42.01 111.105 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.24 97.44 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.89 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.19 144.55 27.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 55.42 111.144 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 90' ' ' TRP . 38.8 t -119.12 117.33 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 53.51 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' VAL . 44.8 mtt180 -38.18 142.84 0.44 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 62.45 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.5 Cg_endo -69.74 126.79 13.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 55.0 112.367 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -158.59 136.56 7.41 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.58 0.705 . . . . 72.2 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.2 Cg_endo -69.77 -41.34 4.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.25 112.33 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.29 -37.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 70.22 110.926 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.22 -23.18 17.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.32 111.068 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 103.07 32.34 4.7 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.72 -0.753 . . . . 64.45 112.5 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.45 85.13 38.53 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.62 0.724 . . . . 64.05 110.825 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -4.92 15.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.655 2.237 . . . . 75.02 112.375 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 16.9 tptm -125.35 -35.38 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.858 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.68 150.92 11.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.812 -0.709 . . . . 71.34 112.545 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG11 ' CB ' ' A' ' 11' ' ' PHE . 1.9 p -112.07 150.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 75.14 111.14 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -132.52 113.28 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.32 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.9 t -98.1 115.97 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 60' ' ' LEU . 26.2 t -84.81 158.3 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 71.4 111.152 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 59' ' ' VAL . 37.9 mt -154.74 78.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 74.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.3 t0 -64.79 107.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.877 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 6.6 mt -108.16 143.93 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.91 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -136.33 106.45 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.925 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.2 m170 56.62 48.55 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 74.2 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 86.52 -25.54 7.17 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 70.44 112.524 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 172.58 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 64.13 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.8 t -120.74 96.41 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 61.41 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -55.74 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.922 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.68 170.33 43.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 72.11 112.46 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.28 166.46 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.392 . . . . 65.2 111.086 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -169.81 136.14 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.58 126.12 39.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.42 111.078 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 77' ' ' ALA . 2.0 p -137.67 118.49 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 54.45 111.137 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -94.53 128.17 40.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.68 -75.48 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.815 -0.707 . . . . 65.45 112.526 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -137.94 116.99 12.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.396 . . . . 73.2 110.879 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -113.06 -176.24 2.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 73.52 111.121 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -150.8 129.56 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.845 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.72 155.86 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.13 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -21.89 66.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.81 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.31 102.21 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.45 110.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG22 ' HB3' ' A' ' 41' ' ' ALA . 74.7 t -108.39 134.47 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.54 111.106 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.55 ' CG1' HD12 ' A' ' 111' ' ' LEU . 46.5 mt -133.01 133.59 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 72.21 111.136 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -121.42 133.61 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.3 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.62 161.76 29.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.084 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.52 139.62 37.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 43.33 110.802 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.9 tp -48.64 -35.04 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.32 -54.8 35.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 44.32 111.04 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.3 m -56.85 -21.27 27.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.144 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.699 ' CD1' HG22 ' A' ' 44' ' ' VAL . 12.8 m95 -83.71 -38.86 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.948 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -67.77 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.932 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.769 ' HB2' HD12 ' A' ' 98' ' ' LEU . 3.8 mm-40 -61.67 -68.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.13 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.408 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 3.1 p -43.61 -27.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 54.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.47 18.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.31 110.962 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.44 -18.43 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 73.32 110.853 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.86 56.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 65.24 112.499 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -78.78 -33.87 46.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 60.21 110.884 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 92' ' ' GLU . 9.5 mt -112.88 -177.09 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 0.3 OUTLIER -131.34 152.6 80.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 74.15 110.904 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.814 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 53.5 Cg_endo -69.84 -42.26 3.47 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 51.21 112.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -89.24 -39.02 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 72.52 110.951 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -37.77 87.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.41 110.871 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -60.57 -46.63 89.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 73.2 111.127 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.84 HD11 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.28 -28.92 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.9 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -32.63 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.91 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -74.51 -21.67 59.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.883 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.8 42.11 1.74 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.764 -0.732 . . . . 61.44 112.48 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.5 mt -116.9 -45.67 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 74.21 110.879 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 85' ' ' ALA . 10.8 mt -95.62 173.46 7.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.05 110.937 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.96 110.28 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.936 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.55 HD12 ' CG1' ' A' ' 83' ' ' ILE . 7.1 tp -82.29 108.9 16.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.912 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.69 -51.52 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.933 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -85.28 -169.65 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.879 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.63 -147.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.448 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.4 t -157.04 154.79 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 70.34 111.171 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.84 HD12 HD11 ' A' ' 104' ' ' LEU . 16.7 tt -70.14 -32.14 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.22 111.096 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.18 -10.68 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.07 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.57 -18.08 25.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 50.41 111.188 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.585 ' HB3' HD21 ' A' ' 101' ' ' LEU . 50.9 mt -84.64 -8.21 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.917 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.27 -60.88 2.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.58 0.705 . . . . 70.33 111.144 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.1 Cg_endo -69.8 -29.19 24.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.672 2.248 . . . . 71.34 112.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.38 57.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.979 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.33 -39.71 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 65.11 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -82.37 -37.22 25.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.519 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.8 -46.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.42 111.095 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.814 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -44.95 -52.83 8.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.055 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 126' ' ' ALA . 2.4 mm-40 -37.83 -35.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.948 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' LEU . 2.4 mm-40 -77.1 -61.11 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 74.12 110.901 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 126' ' ' ALA . 18.9 mt -35.29 -54.7 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.949 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 131' ' ' LYS . 6.8 p -56.86 -49.24 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 62.23 111.136 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.533 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -43.27 -58.84 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.928 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 133' ' ' ALA . 60.3 t -62.75 -49.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.109 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 132' ' ' VAL . . . -34.65 -49.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 74.42 111.15 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -62.08 -49.95 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.811 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.83 -47.55 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.702 HG21 ' HA ' ' A' ' 19' ' ' TYR . 44.7 t -61.52 -58.08 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.21 111.128 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -42.83 95.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 64.35 111.108 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' VAL . 0.6 OUTLIER -164.36 131.95 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.836 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 92.76 166.7 38.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.734 . . . . 65.23 112.486 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -179.45 2.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 71.12 112.313 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 167.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.4 t -168.27 130.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.876 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 62.32 112.477 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.238 . . . . 72.43 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.47 139.01 47.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 74.43 110.952 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.24 171.07 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 70.22 110.923 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.02 164.77 37.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 63.52 112.495 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 -169.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 72.34 110.86 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m 52.79 -176.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 74.51 110.831 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.89 166.69 12.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 72.21 112.511 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.69 153.86 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 74.34 110.828 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 43.89 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.878 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.5 mm? -87.4 24.77 1.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.899 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -149.58 74.67 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -131.99 160.37 36.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 53.23 111.142 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.1 -20.62 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.873 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.07 -47.04 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 73.2 111.083 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 85.5 t90 -70.65 -38.82 73.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 72.53 110.951 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . . . -65.47 -34.16 77.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.079 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.17 -52.28 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 62.43 110.934 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.67 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 53.33 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.558 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.3 t80 -75.16 -28.08 59.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 75.53 110.864 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -73.16 -35.11 66.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.55 110.881 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -80.98 -45.58 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.901 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -52.39 -28.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.3 110.904 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 132' ' ' VAL . 65.5 mt -74.11 -37.15 64.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.427 . . . . 74.31 110.889 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -65.09 -12.51 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 63.31 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.44 -25.01 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.875 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.94 89.54 8.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.865 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.98 -28.48 38.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.887 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.83 -45.52 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.119 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.5 t80 -56.45 -57.09 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 63.11 110.889 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -46.36 -47.59 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 74.41 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 63.54 110.929 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.02 -56.31 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.087 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.99 31.26 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 61.41 111.052 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.53 155.67 39.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 63.25 110.861 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m 73.97 -1.53 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.126 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 2.8 t-105 -73.98 143.81 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.54 110.924 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 7.3 mt-10 -146.22 102.59 3.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.16 -177.81 31.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 74.34 112.578 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.2 p -120.59 139.49 52.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.921 0.391 . . . . 62.53 110.904 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.1 tp -102.57 143.0 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 65.15 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.09 119.92 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 61.2 111.19 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.1 mt -99.3 94.07 6.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 73.34 111.016 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -83.49 148.63 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 60.31 111.063 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 90' ' ' TRP . 95.7 t -125.15 114.16 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.52 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -42.54 139.39 1.96 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.576 0.703 . . . . 73.03 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.8 55.19 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.613 2.208 . . . . 60.12 112.378 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 179.07 136.61 0.25 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 65.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.0 Cg_endo -69.65 -41.05 4.76 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 74.03 112.398 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' PRO . 2.7 tmtt? -36.22 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.877 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -101.67 -30.87 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 45.52 111.058 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 113.52 26.78 3.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 44.42 112.421 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -136.65 82.55 32.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 74.11 110.905 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.91 7.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.244 . . . . 33.22 112.372 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 -28.87 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.934 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.88 21.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.539 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 p -161.64 142.31 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 74.23 111.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -137.99 125.98 22.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.153 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.0 128.22 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.17 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 60' ' ' LEU . 46.8 t -87.8 161.83 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.44 111.169 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.569 ' N ' HG12 ' A' ' 59' ' ' VAL . 91.4 mt -156.09 79.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 64.25 110.892 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 42.6 t0 -65.6 107.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.86 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.3 163.48 12.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 63.55 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -158.57 105.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.7 m170 50.48 37.88 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.04 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.38 -27.44 13.66 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.758 . . . . 63.51 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.3 146.67 28.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 73.04 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -95.52 128.22 42.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.41 110.845 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -91.56 -52.11 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 61.52 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.34 -178.62 34.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 44.44 112.463 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' ALA . . . -165.57 131.22 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.32 111.109 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -138.15 149.67 46.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.948 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.03 154.82 19.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 62.44 111.113 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 76' ' ' GLU . 21.4 t -133.76 146.97 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 72.13 111.119 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.68 115.55 30.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.21 28.88 6.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.656 -0.783 . . . . 53.1 112.547 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 3.3 mt-10 -141.95 179.45 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.959 0.409 . . . . 61.34 110.823 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 178.0 159.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 63.23 111.133 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.92 105.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.918 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.8 158.24 8.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.102 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.99 -31.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.822 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -137.18 120.29 16.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.4 t -126.31 128.28 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 63.41 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 35.7 mt -125.81 127.58 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.228 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.25 136.45 53.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 75.1 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.61 167.34 25.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.43 111.117 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.7 134.2 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.03 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.8 tp -45.37 -43.89 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 61.34 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.27 59.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.55 111.101 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.643 HG21 ' HB3' ' A' ' 108' ' ' LEU . 37.2 m -79.34 -32.37 43.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.14 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 93' ' ' VAL . 45.6 m95 -71.07 -56.56 5.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.51 110.915 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -43.54 -31.24 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 42.03 110.854 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HB3' HD23 ' A' ' 98' ' ' LEU . 1.4 mt-10 -65.63 -69.84 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 71.51 110.864 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 90' ' ' TRP . 14.6 p -48.4 -20.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 75.13 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.18 -38.22 17.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 61.23 110.887 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -30.26 70.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.936 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.44 -6.19 22.94 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 52.11 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -79.56 -32.75 42.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 75.24 110.837 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.7 mm? -109.29 -174.69 2.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.926 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -139.07 150.04 63.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 74.21 110.896 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.638 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.65 -44.58 2.07 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.688 2.259 . . . . 75.25 112.383 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 126' ' ' ALA . 2.2 mm? -77.4 -42.85 34.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 74.4 110.878 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -67.23 -44.75 78.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.915 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.24 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 70.43 111.14 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.646 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -65.57 -42.72 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.944 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -72.84 -29.95 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.809 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -70.49 -22.73 62.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.315 -0.402 . . . . 71.12 110.862 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.74 12.13 21.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 89' ' ' THR . 58.3 mt -82.23 -50.55 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 72.32 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 85' ' ' ALA . 18.8 mt -92.18 -169.79 2.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.88 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -167.56 120.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.964 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 tp -86.16 113.29 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.52 110.943 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -81.95 -48.88 10.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.53 110.856 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.26 -165.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.92 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.81 -150.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 74.32 112.501 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.8 t -151.55 152.41 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 55.43 111.099 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 8.6 tt -63.78 -32.97 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.3 111.143 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.95 -15.38 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.591 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -86.13 -25.52 25.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.127 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.9 mt -81.29 -8.69 59.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.889 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -49.76 -61.69 3.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 45.53 111.165 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.83 -31.8 19.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 64.13 112.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.9 m-85 -95.23 44.01 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.886 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.67 -47.69 8.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 51.3 111.105 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.57 -43.06 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.948 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -38.31 -37.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 31.25 111.164 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -44.95 -52.99 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.12 111.09 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.15 -36.04 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -77.45 -52.73 8.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.53 110.827 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.2 mt -48.13 -57.04 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.82 -29.48 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.179 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -50.26 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.926 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.534 HG21 HD23 ' A' ' 23' ' ' LEU . 21.8 t -79.36 -33.73 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.104 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.35 -25.33 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.085 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 137' ' ' ALA . 51.8 mtp180 -85.17 -47.05 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.891 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.03 -47.09 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.863 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.558 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.8 t -68.72 -36.56 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 70.23 111.058 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 134' ' ' ARG . . . -63.41 112.22 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.42 111.086 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.4 p -169.79 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 35.15 110.865 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.3 78.5 0.99 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 64.44 112.489 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.39 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 72.34 112.333 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 t -152.51 157.63 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 64.53 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.5 m -105.38 105.42 15.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.876 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.479 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.52 -0.232 . . . . 73.32 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 64.01 -173.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 73.13 110.895 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.05 170.01 9.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 51.44 110.897 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.29 -174.41 13.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.662 -0.78 . . . . 65.43 112.426 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.11 170.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 74.34 110.921 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m 63.36 160.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 34.43 110.917 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.59 137.87 4.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 50.31 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 -60.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.653 0.263 . . . . 53.41 110.881 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -64.06 168.61 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -112.07 -56.51 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.947 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.59 86.59 6.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 62.41 110.882 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 13' ' ' GLU . 41.1 p -141.51 149.7 41.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.21 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.4 tt0 -36.17 -39.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.913 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.83 -55.56 25.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.078 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.465 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 66.1 t90 -62.39 -38.85 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.911 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' HB2' HG13 ' A' ' 58' ' ' VAL . . . -62.77 -40.5 97.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 64.25 111.031 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -77.29 -56.7 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 70.11 110.88 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.77 -46.73 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 75.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 133' ' ' ALA . 11.5 t80 -60.26 -30.77 69.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.945 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.42 -49.92 56.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.903 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -68.63 -33.11 73.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 61.51 110.885 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 14.8 tptt -57.89 -34.09 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.55 110.837 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 90.1 mt -66.89 -47.59 71.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 62.11 110.912 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -49.11 -29.18 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.68 -38.41 83.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 53.42 110.909 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.55 102.73 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.778 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -61.85 -33.62 74.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.894 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.098 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t80 -51.78 -56.43 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.954 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -37.98 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -73.81 -37.04 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -66.04 -60.08 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 64.11 111.099 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.22 36.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.54 111.171 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -60.57 155.97 17.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.82 -179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.8 t 39.14 25.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 71.44 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' N ' ' O ' ' A' ' 34' ' ' SER . 5.0 t-105 -59.43 -49.36 78.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 71.34 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 47.27 95.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.922 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.89 157.66 8.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.5 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -112.12 133.98 53.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 74.21 110.867 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -109.53 131.19 55.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -123.85 126.79 47.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.058 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mt -98.3 105.04 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 40.33 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.52 135.94 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 65.32 111.068 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 74.8 t -116.67 122.54 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 72.02 111.103 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -44.66 142.41 2.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 73.42 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.5 Cg_endo -69.74 129.26 17.31 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.694 2.262 . . . . 62.43 112.346 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -156.53 139.17 10.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 72.05 110.86 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -38.52 7.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 72.14 112.313 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -38.99 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.77 -23.83 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.115 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.35 42.97 2.44 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -147.8 84.14 7.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.7 0.762 . . . . 75.34 110.942 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.31 15.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 55.3 112.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -122.0 -5.84 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 73.21 110.854 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.81 152.32 3.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 73.04 112.483 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.18 154.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 70.2 111.177 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -139.15 112.64 8.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.102 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 16' ' ' ALA . 72.2 t -99.27 116.19 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.084 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 60' ' ' LEU . 28.6 t -85.31 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.2 111.13 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 59' ' ' VAL . 41.0 mt -152.35 82.04 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.33 107.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.52 110.804 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 mt -98.75 156.21 16.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 44.43 110.935 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.558 ' CH2' ' NE2' ' A' ' 64' ' ' HIS . 65.7 t-105 -146.05 109.88 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.558 ' NE2' ' CH2' ' A' ' 63' ' ' TRP . 8.1 m170 47.74 29.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 71.34 110.841 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 106.41 -34.11 5.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 72.13 112.506 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.95 128.31 33.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 73.52 111.099 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.45 102.82 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.885 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -67.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.776 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.68 -174.82 22.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 71.21 112.551 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -160.26 148.47 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.847 0.356 . . . . 74.33 111.114 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -147.67 134.25 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.81 132.76 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 61.22 111.178 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -140.97 131.8 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.113 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -102.13 115.41 30.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.68 -74.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 71.12 112.511 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 73' ' ' VAL . 6.3 mt-10 -138.79 131.7 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 65.02 110.822 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.48 179.73 4.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 62.41 111.102 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -144.1 121.34 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 71.42 110.971 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.47 155.45 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 70.22 111.093 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.18 -23.27 67.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.829 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -136.77 107.86 6.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.864 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.445 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -120.45 135.27 61.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 74.51 111.133 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 HD12 ' A' ' 111' ' ' LEU . 56.0 mt -127.93 134.92 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 34.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -123.59 130.84 53.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.894 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.68 164.71 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.42 111.099 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -60.46 141.4 56.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 53.04 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.73 -44.07 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.15 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 65.22 111.071 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.3 m -68.9 -43.93 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 71.31 111.094 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 23.1 m95 -57.1 -53.7 55.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 71.34 110.956 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -42.71 -55.32 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.892 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.8 -56.16 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.909 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.1 t -50.19 -57.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 61.44 111.137 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.847 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -64.6 -13.84 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.02 110.882 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.96 -14.11 59.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 53.54 112.457 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -69.73 -26.7 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 72.51 110.856 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.75 179.78 3.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 60.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 148.04 67.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 73.21 110.874 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.13 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.747 2.298 . . . . 73.34 112.309 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -74.88 -34.55 62.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.854 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -36.74 70.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 65.23 110.888 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -66.47 -48.15 70.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.097 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -67.74 -24.43 65.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 70.13 110.97 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -33.95 20.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.852 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -74.63 -17.74 60.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.901 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.78 39.49 2.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 71.51 112.453 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 103' ' ' ALA . 18.9 mt -114.46 -42.54 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 74.2 110.948 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 mt -99.97 -178.19 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.934 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -157.12 115.5 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 54.01 110.908 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 83' ' ' ILE . 12.2 tp -87.93 109.56 19.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 44.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -80.85 -50.08 10.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.869 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.86 -170.63 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.14 110.887 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.42 -150.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 34.53 112.515 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.4 t -155.43 148.07 24.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.804 0.335 . . . . 72.42 111.136 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.43 ' HA ' HD12 ' A' ' 119' ' ' LEU . 20.8 tt -61.4 -32.32 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.17 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.15 -10.2 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 54.21 111.085 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.91 4.94 43.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 74.42 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 116' ' ' ILE . 7.6 mt -112.76 1.76 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.888 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -58.57 -58.83 16.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 74.14 111.041 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -32.95 17.62 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.675 2.25 . . . . 70.3 112.335 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -101.12 53.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 64.21 110.989 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.64 -48.93 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 73.25 111.125 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.92 -35.42 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.925 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.508 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -49.06 -30.51 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.124 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -51.2 -48.23 62.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.086 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -46.66 -36.19 6.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 63.43 110.93 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.91 -65.2 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.64 -42.98 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 72.7 t -59.65 -53.64 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.139 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -48.45 -56.71 7.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 64.42 110.955 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.474 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 t -61.05 -38.37 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 75.55 111.184 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -54.27 -30.51 50.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.043 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -79.12 -41.89 27.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 72.24 110.842 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -45.13 -50.57 11.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.916 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.533 HG21 ' HA ' ' A' ' 19' ' ' TYR . 18.9 t -68.98 -36.04 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 75.52 111.076 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.89 142.06 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 44.42 111.129 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.5 t -128.45 -50.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.418 . . . . 75.32 110.839 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -126.37 170.01 18.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 63.31 112.546 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.7 37.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 72.34 112.35 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -64.32 157.87 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.897 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.2 120.6 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 73.33 110.82 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 73.25 112.473 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.419 -0.272 . . . . 74.41 112.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -160.4 143.97 13.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.945 0.402 . . . . 63.41 110.81 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.33 86.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 71.22 110.832 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 165.82 26.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.744 . . . . 71.33 112.48 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -178.09 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.37 . . . . 74.13 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -104.9 164.76 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.916 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.16 149.2 18.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.702 -0.761 . . . . 73.41 112.452 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.1 159.45 26.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 55.52 110.912 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -40.8 136.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.13 -174.16 2.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.897 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.674 ' CE2' HG21 ' A' ' 44' ' ' VAL . 97.3 m-85 56.75 38.67 29.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.0 p -96.83 146.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.34 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -43.25 -38.21 2.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.442 . . . . 72.4 110.862 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.78 93.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.042 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.669 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 87.9 t90 -69.54 -43.9 72.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.882 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.63 -45.68 81.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 61.24 111.101 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -73.49 -49.13 28.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.31 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.48 72.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.591 ' HA ' HG21 ' A' ' 136' ' ' VAL . 16.5 t80 -70.32 -31.66 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 61.01 110.879 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.37 -34.19 72.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 73.31 110.883 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -85.37 -34.68 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.871 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -22.28 66.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 60.3 mt -77.86 -39.43 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.939 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -57.34 -23.64 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 61.54 110.839 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -74.03 -33.83 63.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.886 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.54 86.39 6.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 41.52 110.868 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.77 -37.61 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 72.53 110.853 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.21 -47.54 78.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.31 111.11 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 65' ' ' GLY . 1.7 t80 -53.77 -59.12 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 73.33 110.946 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -31.01 5.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 70.24 110.903 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -79.63 -38.19 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.96 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.5 66.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 54.24 111.096 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 36' ' ' TRP . . . -91.56 27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 72.1 111.086 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.31 155.26 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 64.41 110.886 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.1 p 49.18 21.51 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 73.53 111.192 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 8.3 t-105 -63.83 -60.16 3.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.954 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.4 OUTLIER 58.66 159.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 62.01 110.907 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.8 169.35 44.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 54.33 112.475 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.07 156.3 24.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 75.2 110.903 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -118.02 149.37 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.896 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.76 124.38 22.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.31 111.107 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -107.23 96.7 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.38 154.65 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 61.43 111.091 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.68 HG22 ' CD1' ' A' ' 90' ' ' TRP . 70.4 t -134.73 116.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.204 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -41.36 141.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 73.43 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.74 135.02 29.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.732 2.288 . . . . 73.4 112.338 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.99 136.72 2.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 74.2 110.81 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 51' ' ' GLY . 54.2 Cg_endo -69.77 -38.53 7.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 73.45 112.373 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.75 -28.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.55 -24.76 13.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.151 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 105.12 29.51 5.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.838 -0.696 . . . . 74.51 112.533 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 85.8 m-85 -139.7 82.05 18.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 74.13 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.19 6.53 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.72 2.28 . . . . 75.24 112.357 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -121.02 -24.83 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.917 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.91 162.29 24.85 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 40.44 112.52 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 18.1 t -129.15 129.22 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 71.2 111.088 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . . . -121.02 112.07 18.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.11 111.076 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.64 151.84 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 73.53 111.105 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 60' ' ' LEU . 59.8 t -115.25 163.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.22 111.158 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' N ' HG12 ' A' ' 59' ' ' VAL . 64.2 mt -154.96 84.18 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -67.11 102.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 63.52 110.928 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 60' ' ' LEU . 3.9 mt -108.39 163.39 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.538 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 26.6 t-105 -156.03 122.07 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.916 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m170 52.75 23.24 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 75.41 110.816 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.99 -23.57 34.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 74.21 112.49 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.8 177.91 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 61.33 111.168 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.66 153.79 33.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 75.03 110.881 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -129.85 -57.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.14 110.83 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.56 168.91 26.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 62.23 112.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.63 135.75 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 71.11 111.089 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -145.51 155.36 43.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 64.44 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.18 151.53 21.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 71.35 111.058 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 74' ' ' GLU . 23.4 t -126.8 163.26 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 64.41 111.108 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.558 ' N ' HG12 ' A' ' 73' ' ' VAL . 35.7 mt-10 -123.46 98.16 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 64.24 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.26 -39.05 3.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 75.03 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.1 mt-10 -77.39 -177.72 4.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 52.43 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 173.05 134.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 75.03 111.112 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.72 122.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.427 . . . . 72.02 110.862 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.04 168.09 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.065 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.77 -26.46 65.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.857 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -144.47 123.52 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.88 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 ' HB3' ' A' ' 41' ' ' ALA . 98.0 t -131.62 135.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 70.12 111.129 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' A' ' 109' ' ' LEU . 17.1 mt -133.16 122.72 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.135 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.51 132.6 54.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 31.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 109' ' ' LEU . . . -161.56 160.66 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 64.53 111.16 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -49.78 144.53 6.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 51.12 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -61.03 -42.01 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.0 66.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 64.13 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.1 m -76.23 -33.92 59.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 42.42 111.168 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.68 ' CD1' HG22 ' A' ' 44' ' ' VAL . 36.0 m95 -68.14 -51.94 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.3 110.941 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -45.69 -33.13 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.83 -65.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 42.43 110.85 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.1 p -52.13 -27.59 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 111.131 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.99 -24.38 38.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.954 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -82.37 -33.6 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.9 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.46 9.13 11.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 71.12 112.503 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.24 -35.39 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 64.2 110.919 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.05 -179.65 3.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.913 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -133.83 151.02 76.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 71.43 110.889 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -42.19 3.7 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.707 2.271 . . . . 54.34 112.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 123' ' ' ALA . 0.1 OUTLIER -88.42 -39.05 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.43 71.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 62.21 110.844 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -70.78 -44.96 65.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 51.52 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -67.79 -25.17 65.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 71.3 110.884 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.32 -37.46 21.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 50.5 110.882 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.24 -19.92 62.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 71.23 110.894 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.87 35.17 4.09 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.619 -0.8 . . . . 55.23 112.458 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 103' ' ' ALA . 19.7 mt -104.7 -45.69 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 65.24 110.932 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 7.3 mt -91.86 -167.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 72.1 110.866 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -163.51 106.87 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.923 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.5 120.85 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -93.28 -47.7 6.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 63.33 110.925 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -90.27 -177.53 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.931 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.71 -152.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 71.43 112.55 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 11.1 t -152.69 153.78 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 71.11 111.221 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 104' ' ' LEU . 11.2 tt -61.51 -28.65 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 73.25 111.171 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.38 -15.9 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 53.55 111.125 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.97 -3.44 58.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.43 111.071 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.48 -0.15 13.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.13 110.943 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.21 -60.89 4.39 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 65.53 111.059 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.75 -32.65 18.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.26 . . . . 60.5 112.369 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 5.0 m-85 -97.95 49.68 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 74.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' A' ' 101' ' ' LEU . . . -94.44 -14.59 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.2 111.114 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.11 -37.57 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.2 -26.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 60.01 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.73 -48.9 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -53.71 -19.38 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 73.24 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -93.07 -65.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 65.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.1 -45.67 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.892 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.2 -39.04 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.122 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -57.83 9.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.92 -35.61 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.03 111.099 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.52 -36.01 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.13 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.427 ' CZ ' ' CB ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -78.28 -43.08 29.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 64.11 110.856 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.13 -32.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.879 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' A' ' 19' ' ' TYR . 47.2 t -70.25 -50.62 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 54.02 111.071 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -84.28 82.82 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.097 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -47.01 16.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 65.33 110.837 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -176.65 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 61.33 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.9 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 71.13 112.337 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.8 p -80.53 134.19 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.809 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -109.05 148.1 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.844 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.739 -0.743 . . . . 73.33 112.485 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 60.12 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -158.38 133.12 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 73.01 110.88 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -167.94 141.68 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.816 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.88 140.85 11.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 63.32 112.399 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 175.85 96.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.969 0.414 . . . . 74.22 110.855 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -175.42 132.12 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.937 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.16 175.37 39.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.5 112.473 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 tpt -88.96 -51.46 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 64.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.88 140.27 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.918 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.02 -43.42 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 75.14 110.925 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 44' ' ' VAL . 95.1 m-85 -80.17 94.76 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.867 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 p -141.1 145.43 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 53.23 111.117 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.74 -40.23 5.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 62.04 110.895 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -52.6 63.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.027 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -65.67 -39.21 91.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 70.2 110.943 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.04 71.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 75.14 111.137 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -73.06 -50.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.9 -38.59 70.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 51.14 111.081 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' CE1' HD21 ' A' ' 23' ' ' LEU . 30.0 t80 -71.9 -30.75 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.4 110.944 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 t -63.3 -41.07 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -39.32 27.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 65.4 110.87 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -36.4 56.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.85 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 132' ' ' VAL . 92.3 mt -66.26 -45.85 79.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.879 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -49.03 -25.76 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 62.05 110.881 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -70.78 -41.39 71.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.9 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.93 95.48 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 61.32 110.875 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -38.01 72.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 71.01 110.906 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.07 -53.69 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.106 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 3.1 t80 -46.53 -58.46 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 71.03 110.924 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.06 -48.18 16.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 73.41 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -60.48 -32.5 71.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -71.09 -55.63 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 72.5 111.168 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -86.23 32.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 62.45 111.11 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 t -56.44 147.45 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 34' ' ' SER . 15.0 t 44.93 24.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 64.35 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 1.4 t-105 -54.11 -56.25 19.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.945 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 2.8 mt-10 61.52 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 75.34 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.07 173.09 25.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 72.34 112.476 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 60.1 p -122.59 144.38 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 50.03 110.822 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -101.55 145.24 29.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 73.52 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.01 122.33 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 42.25 111.112 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.39 97.54 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.91 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.18 156.86 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.5 111.025 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 90' ' ' TRP . 57.0 t -134.47 124.69 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.15 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.49 142.81 8.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 71.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.7 Cg_endo -69.7 131.79 22.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.714 2.276 . . . . 65.3 112.39 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.45 135.47 3.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 63.52 110.827 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.43 7.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.757 2.305 . . . . 70.21 112.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.76 -34.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.921 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.07 -32.23 12.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 71.54 111.173 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 112.91 37.77 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.11 112.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -147.77 82.76 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 73.5 110.824 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.12 6.46 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.66 2.24 . . . . 72.21 112.356 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 36.6 tptt -121.06 -32.55 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.861 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 110.14 158.43 16.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 32.2 112.448 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.49 139.9 42.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.868 0.366 . . . . 75.01 111.162 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . . . -134.61 126.85 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.42 111.089 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.4 t -96.5 131.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 73.33 111.046 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.3 t -97.56 162.65 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 55.45 111.095 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 59' ' ' VAL . 86.5 mt -157.1 84.48 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.941 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.4 t0 -65.35 103.82 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.917 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt -100.75 162.74 12.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -154.67 99.87 2.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.868 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.8 m170 63.01 33.66 14.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.846 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.538 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 95.85 -31.49 7.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 32.02 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.63 128.79 35.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 33.51 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.5 t -69.06 161.22 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.52 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -52.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.871 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.99 162.19 28.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.821 -0.705 . . . . 72.01 112.545 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.01 132.07 7.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 74.4 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -142.89 157.41 44.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 70.25 110.883 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.57 150.42 20.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 60.33 111.097 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 77' ' ' ALA . 50.9 t -128.06 141.58 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 74.33 111.178 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -101.66 97.63 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 108.98 -97.85 1.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.31 112.44 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -111.49 124.69 52.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 72.1 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . . . -100.32 -179.72 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.136 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 179.21 163.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.23 -43.09 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 75.2 110.871 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -125.09 112.18 16.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.829 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.6 t -115.44 129.92 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 HD12 ' A' ' 111' ' ' LEU . 16.1 mt -128.55 131.39 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.44 111.133 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -122.27 134.85 54.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 44.31 110.85 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.63 172.74 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 55.4 111.118 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -65.4 136.48 56.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 74.2 110.869 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -49.96 -44.83 50.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.46 -50.87 39.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 63.14 111.096 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.7 m -62.84 -35.36 79.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 70.33 111.117 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.722 ' CD1' HG22 ' A' ' 44' ' ' VAL . 21.6 m95 -65.28 -56.35 13.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 74.11 110.933 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -42.5 -43.5 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.423 . . . . 71.21 110.936 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.845 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -55.0 -65.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.953 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 74.8 t -36.43 -60.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.141 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -36.62 74.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 41.22 110.984 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -67.25 -8.14 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.897 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.2 -15.37 56.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 54.04 112.435 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 73.54 110.818 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' ' 92' ' ' GLU . 17.9 mt -110.64 179.72 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.43 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 1.8 mt-10 -134.73 150.56 73.81 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.645 0.736 . . . . 75.45 110.878 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.98 2.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.645 2.23 . . . . 52.23 112.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 126' ' ' ALA . 3.6 mm? -78.1 -45.34 23.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.98 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 t -65.25 -51.24 62.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 72.04 110.841 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -51.51 -47.19 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 43.14 111.152 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.29 -24.07 62.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.952 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -27.27 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 41.22 110.926 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.6 mtp-105 -79.82 -20.9 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.844 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.76 32.04 3.23 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 53.35 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.6 mt -103.12 -48.58 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 74.34 110.936 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 104' ' ' LEU . 30.9 mt -92.38 -169.98 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.901 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.39 106.0 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 65.12 110.857 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 83' ' ' ILE . 11.0 tp -75.6 105.62 6.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.882 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -72.17 -48.26 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 54.0 110.885 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -84.47 -174.72 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.4 110.845 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.35 -137.15 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.816 -0.707 . . . . 62.44 112.429 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.2 t -164.18 151.19 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 52.32 111.138 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 104' ' ' LEU . 18.8 tt -62.07 -32.4 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 62.11 111.182 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -10.57 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 55.15 111.141 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.8 -5.49 50.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 74.42 111.089 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -99.44 -2.33 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -47.68 -60.67 3.84 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.532 0.682 . . . . 75.23 111.141 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.5 Cg_endo -69.76 -37.13 9.58 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.685 2.257 . . . . 75.14 112.366 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -93.26 40.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.918 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.21 -47.55 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.12 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.84 -42.38 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 64.33 110.949 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -37.91 -39.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 73.31 111.071 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -48.61 -53.13 19.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 74.41 111.093 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -37.99 -37.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' LEU . 65.6 mm-40 -68.18 -62.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 61.25 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 126' ' ' ALA . 9.3 mt -37.0 -40.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 75.55 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 89.2 t -65.16 -51.15 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 72.03 111.134 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -43.89 -55.41 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.455 ' CB ' HD23 ' A' ' 23' ' ' LEU . 85.6 t -65.68 -33.22 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.22 111.124 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 130' ' ' VAL . . . -49.39 -40.55 36.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 63.23 111.02 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -69.46 -47.21 64.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 73.25 110.984 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -40.58 -49.49 2.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.944 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.0 t -63.02 -55.46 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 73.23 111.081 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.09 116.61 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.114 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.4 t -163.47 -60.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.825 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.49 145.47 17.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 63.2 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 134.21 27.55 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.673 2.249 . . . . 65.44 112.349 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.15 -46.11 79.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.2 p 179.87 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 72.11 110.832 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.538 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.517 -0.233 . . . . 75.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -166.05 129.94 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 61.2 110.848 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.31 146.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 75.12 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.13 97.27 1.31 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.685 -0.769 . . . . 63.53 112.458 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.34 90.65 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 55.51 110.843 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.14 124.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 45.51 110.899 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.26 159.81 21.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 75.53 112.511 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.8 ttm -88.1 -53.51 4.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 74.35 110.909 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -80.22 112.62 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.838 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -115.87 -46.56 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 73.14 110.957 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' HG11 ' A' ' 56' ' ' VAL . 21.1 m-85 -87.83 76.23 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.12 110.91 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.2 p -123.23 165.85 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.156 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -39.05 89.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.926 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.79 63.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 64.44 111.084 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' O ' ' CB ' ' A' ' 19' ' ' TYR . 82.5 t90 -64.72 -37.21 86.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 70' ' ' ALA . . . -62.34 -37.87 87.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.13 111.058 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.62 -57.49 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 31.41 110.939 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.59 -28.41 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 34.44 111.126 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.762 ' HA ' HG21 ' A' ' 136' ' ' VAL . 5.7 t80 -78.07 -22.75 48.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.947 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -78.58 -47.81 16.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 43.14 110.863 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -66.33 -39.72 89.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.864 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -54.12 -33.52 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.901 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.41 -38.85 81.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -64.96 -11.7 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.53 110.831 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.41 -26.47 19.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.837 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 107.99 17.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 60.0 110.833 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -43.53 97.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 74.12 110.899 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.69 -49.74 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.09 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.6 ' OH ' HD13 ' A' ' 62' ' ' LEU . 37.4 t80 -63.12 -49.0 76.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.887 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -27.12 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 72.22 110.879 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -93.63 -61.13 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 65.01 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.01 -41.19 16.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.32 111.081 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.79 34.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.066 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -69.29 136.9 52.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m 58.9 31.01 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.23 111.085 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 7.4 t-105 -74.22 -78.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 0.7 OUTLIER 65.6 129.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.905 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.74 129.97 3.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 65.44 112.535 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 82.0 p -87.87 136.27 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 73.33 110.86 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -111.32 118.38 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 52.21 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -100.81 120.39 40.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.18 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 47.8 mt -96.17 94.55 7.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.911 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.82 155.58 21.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 71.2 111.113 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 90' ' ' TRP . 64.5 t -133.01 119.76 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.12 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 85' ' ' ALA . 31.5 mtp180 -44.66 142.68 2.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 55.4 110.963 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.67 136.6 33.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.767 2.311 . . . . 74.51 112.38 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.08 134.44 2.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 75.3 110.87 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -25.81 28.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.655 2.237 . . . . 74.33 112.356 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -57.0 -25.13 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.924 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.49 -18.26 13.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 64.45 111.073 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.75 41.64 3.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 53.34 112.566 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -151.23 81.49 6.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 74.45 110.885 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -5.92 17.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 73.13 112.38 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 1.5 pttt -114.33 -36.6 4.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.87 148.94 14.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.7 -0.762 . . . . 65.5 112.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 11' ' ' PHE . 4.2 p -114.44 149.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 73.12 111.215 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -135.71 113.42 10.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.21 111.056 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.9 t -98.87 120.11 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.095 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.3 t -85.39 159.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 73.5 111.153 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 62' ' ' LEU . 73.1 mt -154.34 78.68 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.87 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 9.8 t0 -69.26 95.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.832 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.6 HD13 ' OH ' ' A' ' 29' ' ' TYR . 1.5 mt -106.73 134.33 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.952 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -103.57 -159.06 0.7 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.04 110.956 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -61.54 76.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.862 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 63' ' ' TRP . . . 85.14 -18.01 29.89 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 42.44 112.459 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.05 172.14 8.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 31.22 111.144 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' HD22 ' A' ' 62' ' ' LEU . 15.5 t -128.25 93.9 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -44.97 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.48 -165.49 26.95 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.462 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 16' ' ' ALA . . . -163.07 160.28 24.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 42.41 111.168 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -160.05 147.46 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.925 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.65 127.15 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 60.52 111.154 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -139.39 127.95 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 71.23 111.207 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -97.6 133.64 41.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.04 110.836 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.43 -93.92 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 74.2 112.511 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 75.4 110.904 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.79 -179.07 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 74.21 111.103 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -132.31 121.74 24.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 64.31 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.21 157.02 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.112 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.29 -25.94 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.886 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.82 103.09 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG22 ' HB3' ' A' ' 41' ' ' ALA . 87.2 t -115.12 137.97 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.42 111.124 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.599 HG13 HD12 ' A' ' 111' ' ' LEU . 46.3 mt -137.41 130.75 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.21 111.129 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -117.37 137.67 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.926 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -157.62 163.8 37.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 43.31 111.061 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.56 132.2 51.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.839 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -42.45 -48.92 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 63.22 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.52 -41.54 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 52.42 111.088 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.6 m -68.26 -44.69 75.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 72.05 111.137 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.765 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 45.1 m95 -59.82 -49.01 79.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 73.32 110.936 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -45.6 -43.17 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.9 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.16 -69.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 90' ' ' TRP . 13.2 p -48.91 -23.68 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 111.092 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -30.28 21.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -74.97 -29.64 60.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.54 -9.11 17.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.631 -0.795 . . . . 75.34 112.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -42.44 30.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 51.14 110.874 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.4 OUTLIER -99.68 -178.23 3.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.953 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -139.69 153.69 70.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.677 0.751 . . . . 73.52 110.859 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.83 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.596 2.197 . . . . 64.45 112.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.675 HD23 ' CB ' ' A' ' 126' ' ' ALA . 4.6 mm? -69.66 -45.08 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 64.32 110.93 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 t -65.22 -41.88 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 54.45 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.805 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -62.45 -55.77 24.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 75.55 111.088 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -60.76 -33.44 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 73.21 110.934 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.477 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.54 -32.15 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.884 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -74.32 -21.44 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.12 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.39 26.45 5.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.457 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.805 HD12 ' HA ' ' A' ' 103' ' ' ALA . 14.6 mt -99.48 -40.72 7.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 61.2 110.889 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD11 ' HB3' ' A' ' 103' ' ' ALA . 6.8 mt -105.51 176.04 5.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.966 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -157.08 121.52 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.42 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 83' ' ' ILE . 5.6 tp -86.55 112.84 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.34 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -78.45 -43.17 27.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.982 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' CD2' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -94.39 -169.33 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.883 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.07 -134.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 44.52 112.441 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.413 ' N ' HD21 ' A' ' 111' ' ' LEU . 10.0 t -173.14 152.1 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 64.34 111.139 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 104' ' ' LEU . 8.1 tt -64.59 -28.63 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.43 111.155 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.26 -13.62 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 70.31 111.105 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.59 1.21 48.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 53.24 111.105 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 116' ' ' ILE . 5.0 mt -115.59 0.01 13.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.926 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.63 -60.89 4.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.632 0.729 . . . . 62.11 111.082 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.75 -43.4 2.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 43.53 112.366 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 6.2 m-85 -81.63 46.13 0.94 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.955 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.18 -19.01 24.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 71.05 111.127 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -95.66 -37.59 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 62.12 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.0 -25.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 71.24 111.123 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.675 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.88 -36.34 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.52 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -54.72 -24.04 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.934 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -84.03 -58.18 2.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -40.26 -52.79 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.929 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' LYS . 41.5 t -58.71 -59.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 54.44 111.142 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' VAL . 1.6 tptt -35.67 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.92 -45.32 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.529 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -41.05 -37.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.096 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -72.35 -45.57 59.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.886 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -44.87 -49.31 10.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.762 HG21 ' HA ' ' A' ' 19' ' ' TYR . 8.8 t -67.51 -52.71 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 44.21 111.083 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.5 125.81 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 74.13 111.11 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 24.9 t -177.97 174.11 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.834 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 59.9 150.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 75.23 112.481 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -44.23 2.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 63.2 112.364 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 m -152.36 134.4 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.839 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.8 t -122.22 130.62 53.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 73.34 110.846 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.25 112.486 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.455 -0.258 . . . . 53.43 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -139.54 145.51 38.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.418 . . . . 33.35 110.776 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -154.44 176.78 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.878 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.94 153.56 10.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 74.22 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.77 148.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 74.35 110.805 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -143.46 169.32 17.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 74.51 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 -178.1 46.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.699 . . . . 33.41 112.532 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.89 -51.52 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.707 0.289 . . . . 74.11 110.859 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.15 87.95 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.891 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.549 HD12 ' NE2' ' A' ' 91' ' ' GLN . 8.0 mt -107.83 36.01 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 51.42 110.872 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -155.56 42.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.9 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -95.1 153.54 17.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 73.54 111.146 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -47.07 -39.24 12.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.23 110.871 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -58.96 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.22 111.08 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.423 ' CD1' HG12 ' A' ' 136' ' ' VAL . 77.9 t90 -61.81 -37.93 86.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 73.12 110.88 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -49.08 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 52.0 111.141 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.38 -45.05 70.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.54 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 55.14 111.122 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.592 ' HA ' HG21 ' A' ' 136' ' ' VAL . 20.1 t80 -70.73 -31.56 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 70.01 110.975 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 t -66.39 -46.97 74.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -71.11 -40.13 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 71.53 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -50.97 -37.29 43.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 78.7 mt -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 61.11 110.916 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -51.38 -28.02 11.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 52.11 110.895 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.36 -38.55 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.51 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.05 97.83 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 55.1 110.832 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.96 -37.69 80.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 71.15 110.881 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.25 -55.13 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.05 111.027 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 23' ' ' LEU . 5.7 t80 -45.01 -54.35 6.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.937 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -49.77 -46.72 50.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 72.42 110.825 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -63.89 -45.24 90.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.14 -51.86 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.42 111.106 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.6 37.29 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.039 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' THR . 1.9 t -58.79 162.08 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 62.11 110.811 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' SER . 15.1 t 32.42 41.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 62.22 111.154 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -72.37 -54.19 10.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.915 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 63.29 138.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 63.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.06 171.11 29.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 44.02 112.433 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.7 p -126.03 145.35 50.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.4 110.939 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tp -99.48 151.25 21.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 53.21 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -136.45 103.8 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.146 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.2 mt -86.46 102.05 13.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -88.85 149.77 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 61.31 111.11 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -126.92 119.11 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.13 111.125 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -46.18 143.55 3.56 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 65.23 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.8 Cg_endo -69.77 129.46 17.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 63.42 112.319 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -162.33 139.15 6.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 72.22 110.873 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.86 3.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 72.43 112.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -38.86 -34.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 61.22 110.911 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.49 -33.59 13.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.086 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.95 35.63 1.8 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 55.4 112.557 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.28 88.12 6.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 71.12 110.899 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 0.11 6.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 52.35 112.377 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -124.58 -24.13 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.837 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.39 -175.63 21.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 55.34 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.0 143.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 63.12 111.146 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.98 123.1 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.073 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -96.85 133.77 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.116 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.7 t -103.79 156.87 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.203 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 17.5 mt -151.47 89.05 1.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.955 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 1.4 t0 -64.78 97.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 63.14 110.843 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -90.81 156.67 17.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 63.4 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -150.33 105.38 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.6 m170 61.8 37.39 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 72.24 110.84 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.31 -25.83 8.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 42.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.78 129.56 40.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 74.04 111.095 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 t -62.24 170.31 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -149.85 -56.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.99 159.51 23.77 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 63.11 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.9 133.87 12.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 72.4 111.118 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -146.59 139.29 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 42.33 110.901 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.28 156.92 18.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 74.52 111.141 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 144.89 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.09 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' GLY . 26.3 mt-10 -96.07 123.68 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.902 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . . . 35.16 41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.764 -0.731 . . . . 44.41 112.424 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 mt-10 -154.04 -178.45 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.38 . . . . 73.5 110.86 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 76' ' ' GLU . . . 174.35 154.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 74.35 111.081 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -177.05 104.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.8 168.88 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.2 111.113 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -47.11 14.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.23 110.905 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.5 m-85 -125.58 124.33 41.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.916 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' A' ' 41' ' ' ALA . 54.9 t -127.38 124.24 63.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.43 111.149 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.66 HD11 HD12 ' A' ' 111' ' ' LEU . 14.0 mm -120.33 124.37 72.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 52.31 111.144 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -112.19 133.68 54.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.888 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.27 169.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.34 111.156 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.22 130.22 39.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.435 . . . . 65.43 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.9 tp -40.45 -44.56 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 74.41 110.869 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.95 -44.98 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.108 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.547 HG21 ' HB3' ' A' ' 108' ' ' LEU . 98.3 m -69.3 -47.09 65.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.151 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.484 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 25.8 m95 -51.15 -54.28 26.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.43 110.893 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' NE2' HD12 ' A' ' 10' ' ' LEU . 2.7 mm-40 -46.36 -60.01 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.936 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 2.3 mt-10 -34.54 -55.68 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' O ' HG21 ' A' ' 130' ' ' VAL . 87.6 t -47.6 -56.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.52 111.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.589 ' HA ' HG23 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -54.1 -38.72 65.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.918 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 50.04 110.885 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.17 -30.25 9.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 63.52 112.453 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -54.19 -34.06 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 70.24 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.73 169.51 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 65.5 110.961 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 11.3 mt-10 -123.36 145.13 45.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 73.33 110.84 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.61 ' CG ' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.79 -34.96 13.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.749 2.299 . . . . 64.14 112.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' CB ' ' A' ' 126' ' ' ALA . 1.2 mm? -87.2 -50.07 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 70.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -37.86 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 60.33 110.856 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -61.21 -52.74 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 62.23 111.035 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.927 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -60.23 -25.33 65.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 70.42 110.918 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -23.19 34.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 63.45 110.866 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -84.86 -24.59 28.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.81 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 119.73 -11.04 11.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 73.53 112.534 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 89' ' ' THR . 17.7 mt -64.01 -46.26 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 71.42 110.882 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 mt -107.13 133.57 51.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.903 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -117.99 131.48 56.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.51 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -95.88 115.37 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.899 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -88.44 -49.35 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.837 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -89.87 -172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.923 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.538 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 41.27 -141.53 1.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.807 -0.711 . . . . 42.22 112.467 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.418 ' CA ' HD21 ' A' ' 111' ' ' LEU . 5.8 t -160.72 144.29 13.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 75.34 111.076 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.927 HD12 HD11 ' A' ' 104' ' ' LEU . 15.2 tt -61.97 -31.47 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.137 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.56 -14.8 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 42.34 111.054 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.37 -18.5 29.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 74.32 111.063 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.401 HD12 HG13 ' A' ' 116' ' ' ILE . 13.4 mt -88.36 1.92 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 64.23 110.947 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.31 -60.53 9.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 65.34 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.787 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.72 -39.81 6.14 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 73.4 112.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.48 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 27.8 m-85 -92.93 37.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.962 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.86 -42.72 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 71.41 111.097 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -75.8 -41.84 51.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 45.52 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.75 -42.98 5.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 70.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 100' ' ' PRO . . . -38.43 -45.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.083 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -47.62 -45.81 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -59.66 -47.53 85.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 65.05 110.943 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -50.04 -60.28 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.072 -0.513 . . . . 64.34 110.923 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.589 HG23 ' HA ' ' A' ' 94' ' ' LEU . 7.6 p -58.5 -38.27 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -63.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 135' ' ' GLU . 85.7 t -60.3 -44.37 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 32.21 111.087 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -41.02 -43.68 2.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.098 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 94' ' ' LEU . 6.3 mtp-105 -65.65 -33.7 76.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 mm-40 -55.91 -32.41 63.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.931 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 19' ' ' TYR . 86.0 t -76.84 -58.32 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 65.43 111.101 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 36.75 90.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 64.24 111.086 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.15 150.62 28.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.863 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -178.84 59.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 52.25 112.472 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.09 68.02 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.679 2.252 . . . . 74.01 112.341 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 99.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.41 110.87 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.7 175.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 61.25 110.902 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 70.24 112.457 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.462 -0.255 . . . . 73.33 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 55.67 96.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 70.25 110.83 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.34 178.66 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.86 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -74.13 -106.16 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 65.41 112.493 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.4 OUTLIER 80.99 -48.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 73.14 110.81 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -35.95 128.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.83 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 75.2 112.465 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -50.05 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.81 0.338 . . . . 71.13 110.914 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.42 101.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 62.53 110.883 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.59 -58.84 2.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 71.11 110.953 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' HD2' HG23 ' A' ' 58' ' ' VAL . 3.6 m-85 -80.93 96.8 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.888 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -142.89 148.6 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -32.63 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.882 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.33 -42.84 78.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.34 111.107 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.515 ' HZ2' HD21 ' A' ' 94' ' ' LEU . 78.6 t90 -68.74 -57.23 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.847 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.88 54.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 64.43 111.155 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -74.64 -54.59 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 -27.95 23.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 64.43 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 133' ' ' ALA . 16.8 t80 -84.2 -25.61 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.932 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -72.15 -36.09 69.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -83.41 -30.49 27.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.31 -28.37 69.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.919 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 61.5 mt -69.22 -40.96 77.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -54.11 -27.31 32.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.886 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.84 -23.51 55.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.891 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.5 83.13 7.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 63.51 110.84 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -57.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 61.42 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LYS . . . -40.39 -59.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.087 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 7.8 t80 -40.1 -54.89 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.948 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG3' ' C ' ' A' ' 65' ' ' GLY . 10.6 ttt180 -59.4 -35.36 73.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.901 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ALA . 19.9 mmmt -63.78 -43.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -41.81 59.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 71.34 111.127 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB3' ' HA2' ' A' ' 65' ' ' GLY . . . -85.22 29.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.24 111.094 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.626 ' O ' HG22 ' A' ' 35' ' ' THR . 8.3 t -67.12 149.32 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 71.42 110.804 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 34' ' ' SER . 12.5 t 46.24 25.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 72.13 111.139 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.543 ' CD1' ' N ' ' A' ' 37' ' ' GLU . 6.4 t-105 -69.61 -74.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 36' ' ' TRP . 0.3 OUTLIER 67.78 135.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.884 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.19 -178.29 16.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 43.32 112.504 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 p -134.44 135.71 42.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 71.13 110.89 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -108.56 136.57 47.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.894 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.77 126.95 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.115 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.425 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 18.1 mt -105.13 98.42 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 74.41 110.875 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -80.38 153.37 28.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 40.3 111.114 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' ARG . 53.8 t -129.31 105.97 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 73.31 111.074 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' VAL . 2.0 mtt-85 -35.49 140.51 0.33 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.699 . . . . 71.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 136.47 33.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 61.33 112.367 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 140.04 0.8 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 74.52 110.858 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 74.3 112.278 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -37.99 -33.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 72.11 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.63 -28.0 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 55.14 111.065 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 104.47 37.98 2.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 74.23 112.48 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 13.7 m-85 -145.73 82.44 9.41 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.654 0.74 . . . . 71.44 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -1.01 7.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.777 2.318 . . . . 75.01 112.339 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.71 -12.67 7.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.932 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 178.93 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 63.13 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -151.5 147.68 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 71.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.646 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . . . -135.86 114.52 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 75.14 111.126 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 11' ' ' PHE . 20.1 t -93.66 117.88 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.22 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 60' ' ' LEU . 22.3 t -85.1 160.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.2 111.171 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' N ' HG12 ' A' ' 59' ' ' VAL . 95.8 mt -157.79 85.57 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.957 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 t0 -72.39 103.13 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.911 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD13 ' OH ' ' A' ' 29' ' ' TYR . 3.0 mt -112.28 133.74 54.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 2.7 t-105 -90.13 -147.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.928 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 35' ' ' THR . 14.5 m170 -72.06 65.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 73.34 110.829 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 33' ' ' ALA . . . 100.74 -27.2 21.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 50.22 112.492 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.58 177.17 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 73.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.9 t -119.26 93.44 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 8.2 ttm180 -50.32 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.85 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.53 -172.85 27.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 70.31 112.433 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.38 154.15 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 71.3 111.151 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.04 145.14 19.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.854 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.5 141.82 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.071 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 76' ' ' GLU . 2.9 t -127.31 140.32 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.31 111.132 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 6.9 pt-20 -107.67 101.56 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.97 -19.39 46.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 60.13 112.482 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 73' ' ' VAL . 1.8 mt-10 -115.83 172.03 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 74.34 110.914 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.646 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . . . -168.58 169.94 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 71.12 111.066 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.27 118.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.84 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -179.63 147.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 62.41 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.35 -27.06 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.54 110.824 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 81.6 m-85 -132.68 103.92 6.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 64.23 110.885 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.2 123.28 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 60.23 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.71 ' CD1' HD12 ' A' ' 111' ' ' LEU . 11.5 mm -114.96 123.52 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -111.16 129.82 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' NE1' ' A' ' 90' ' ' TRP . . . -161.74 164.51 28.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 64.41 111.132 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.71 130.25 42.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.844 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . 14.7 tp -39.35 -47.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.941 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.12 -48.57 44.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.08 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.0 m -62.44 -45.61 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 64.14 111.11 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.425 ' CZ3' HD22 ' A' ' 42' ' ' LEU . 38.9 m95 -58.05 -46.24 85.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.844 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -50.68 -59.12 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 72.12 110.838 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -40.08 -48.38 2.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.242 -0.436 . . . . 70.45 110.816 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.2 -54.76 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 71.3 111.085 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.515 HD21 ' HZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -61.23 -33.75 74.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 52.43 110.921 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.09 -5.87 15.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.896 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.08 -11.93 33.51 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 64.23 112.495 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -72.89 -30.03 63.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 73.3 110.895 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -115.43 167.83 10.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.893 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 0.2 OUTLIER -113.8 143.98 30.58 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.657 0.742 . . . . 71.23 110.893 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.1 Cg_endo -69.76 -41.27 4.42 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.765 2.31 . . . . 73.43 112.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.2 mm? -78.96 -44.78 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.877 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.2 t -66.26 -41.73 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.64 -31.92 69.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 61.24 111.145 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -81.28 -30.33 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.24 110.893 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -23.33 28.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.904 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -77.11 -18.13 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.15 6.01 39.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.787 -0.72 . . . . 43.54 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 103' ' ' ALA . 36.7 mt -78.32 -36.4 46.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 71.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.595 HD12 ' CB ' ' A' ' 104' ' ' LEU . 5.1 mt -105.37 -174.51 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.915 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.45 117.76 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.928 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.1 tp -77.65 123.54 26.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -46.43 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 74.34 110.919 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.15 -172.72 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.911 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 47.02 -139.76 7.74 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.752 -0.737 . . . . 54.43 112.477 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.2 t -162.65 144.73 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 72.44 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.5 tt -66.02 -34.42 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 52.12 111.168 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.83 -12.93 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 64.4 111.125 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.33 -23.34 22.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 40.12 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -79.75 -6.94 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 70.31 110.869 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -44.91 -62.6 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 63.1 111.119 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.3 Cg_endo -69.7 -42.8 3.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 73.13 112.364 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.25 51.16 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.889 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -92.8 -28.78 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 70.52 111.099 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -91.66 -39.76 11.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.02 110.899 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.22 -31.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 33.21 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.683 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -57.69 -49.57 76.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 62.42 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -22.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 70.22 110.912 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -88.03 -44.5 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -55.76 -60.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.921 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 131' ' ' LYS . 7.5 p -51.14 -45.61 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.41 111.095 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -41.02 -62.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 62.3 110.867 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.404 ' HB ' HD23 ' A' ' 23' ' ' LEU . 58.8 t -62.81 -31.02 50.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 54.51 111.098 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 19' ' ' TYR . . . -57.57 -30.34 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 73.05 111.043 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -79.75 -32.11 41.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.409 . . . . 74.23 110.941 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.4 -36.55 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 70.52 110.871 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.15 -56.57 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -51.65 106.67 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 55.34 111.087 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 31.4 t -159.64 -39.76 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.51 110.904 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 126.33 160.19 10.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.501 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.2 Cg_endo -69.81 92.75 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.257 . . . . 72.33 112.282 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 140' ' ' PRO . 86.9 p -37.4 123.88 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.819 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.9 t -87.24 109.77 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 75.42 110.886 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 71.52 112.451 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.449 -0.26 . . . . 75.33 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.95 153.06 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 51.41 110.835 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -176.99 107.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 72.22 110.877 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.58 -177.39 14.94 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.676 -0.773 . . . . 71.31 112.465 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 73.3 m -150.13 -62.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 71.42 110.853 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 69.2 m -35.48 130.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.883 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.17 137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 72.13 112.516 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ttt -111.93 -47.58 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.702 0.287 . . . . 73.42 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.81 97.71 4.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 54.02 110.837 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 mt -101.22 -59.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 74.34 110.912 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -86.59 85.95 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 71.4 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -141.99 167.55 21.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.12 111.161 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.13 -32.08 45.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.828 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.65 88.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 55.35 111.149 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -80.45 -38.99 29.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 70' ' ' ALA . . . -64.85 -45.86 84.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 62.12 111.114 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -72.44 -43.26 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 54.25 110.943 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -41.31 86.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.049 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 12.9 t80 -72.06 -31.35 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.54 110.92 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -70.14 -33.93 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -83.97 -42.22 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.888 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 6.0 tptt -56.81 -19.67 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 132' ' ' VAL . 51.6 mt -84.42 -38.79 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.5 110.909 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 67' ' ' CYS . 23.0 m-80 -63.89 -18.85 64.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.933 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 7.9 pt-20 -86.38 -35.88 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.44 82.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.855 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.99 -42.95 8.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.487 . . . . 55.01 110.89 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.8 -44.34 39.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.34 111.074 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 23.7 t80 -64.42 -51.96 60.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.969 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -49.6 -41.12 41.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 72.2 110.855 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -75.55 -45.99 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 71.11 110.92 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 111.117 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 125' ' ' ALA . . . -110.22 39.7 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 72.1 111.114 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -70.51 148.55 48.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.804 -179.734 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER 82.37 -39.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 60.44 111.17 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -39.62 130.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.853 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG2' ' CZ3' ' A' ' 63' ' ' TRP . 8.1 mt-10 -132.07 134.39 45.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 62.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.02 155.25 7.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 62.35 112.534 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -92.48 148.67 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 63.43 110.884 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 35.1 tp -116.96 134.42 54.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -127.79 121.17 29.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.115 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.1 98.55 9.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.859 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -90.09 152.81 20.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 61.1 111.085 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.789 HG22 ' CD1' ' A' ' 90' ' ' TRP . 20.4 t -130.1 125.47 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.34 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -47.26 145.36 3.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.636 0.732 . . . . 71.5 110.835 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 131.82 22.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 71.15 112.368 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.13 136.83 5.23 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.552 0.692 . . . . 71.13 110.873 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -33.34 16.74 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.646 2.231 . . . . 64.4 112.307 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -45.3 -31.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.25 110.867 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.63 -26.61 12.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 55.1 111.093 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.23 41.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 65.42 112.518 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -143.17 87.81 8.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.69 0.757 . . . . 64.11 110.906 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -7.09 20.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.728 2.286 . . . . 63.5 112.293 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 25.8 tptt -120.88 -35.38 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.26 154.15 13.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 23.21 112.48 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG23 ' HG3' ' A' ' 74' ' ' GLU . 2.6 p -113.0 151.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.84 0.352 . . . . 61.21 111.095 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.51 112.31 8.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.113 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 16' ' ' ALA . 83.4 t -97.34 123.43 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 74.12 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 60' ' ' LEU . 40.1 t -88.66 155.25 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 75.02 111.183 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 40' ' ' LEU . 47.3 mt -151.88 82.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 73.01 110.937 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -66.48 105.83 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.873 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.06 144.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 63.33 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CZ3' ' HG2' ' A' ' 37' ' ' GLU . 62.1 m95 -141.44 110.31 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.868 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 60.7 36.91 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.891 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.34 -26.42 7.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.467 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 30' ' ' ARG . . . -91.56 125.48 36.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 70.32 111.059 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.461 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 4.6 t -60.46 163.71 5.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 75.42 110.832 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -129.73 -50.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.83 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.7 163.06 31.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 33.11 112.51 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.811 ' HB1' ' HB1' ' A' ' 16' ' ' ALA . . . -146.52 136.73 23.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 72.22 111.054 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -148.23 133.66 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.939 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.42 132.06 37.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 64.54 111.097 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.6 126.11 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.113 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HG3' HG23 ' A' ' 56' ' ' VAL . 3.9 mp0 -95.69 119.6 34.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.858 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.57 -82.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.742 . . . . 50.35 112.506 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.2 122.75 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.52 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.3 161.82 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 62.33 111.044 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -124.89 117.7 24.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.942 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.15 168.57 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.097 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -21.96 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.883 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -139.6 93.25 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 75.1 110.893 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 41' ' ' ALA . 76.9 t -103.61 128.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 72.31 111.127 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG12 HD12 ' A' ' 111' ' ' LEU . 23.4 mt -124.97 132.17 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.124 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -124.92 130.25 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.04 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.58 160.08 28.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 24.31 111.104 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -50.07 149.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.802 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.59 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 73.4 110.895 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.06 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 63.14 111.128 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -75.76 -28.93 58.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 60.22 111.208 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.789 ' CD1' HG22 ' A' ' 44' ' ' VAL . 20.8 m95 -73.18 -46.64 49.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 70.5 110.887 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.16 -41.06 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 63.1 110.87 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.757 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.3 mt-10 -49.08 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.891 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 93' ' ' VAL . 12.7 t -38.2 -54.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.141 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.94 -38.55 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 61.23 110.918 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -71.73 0.59 8.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.81 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.04 -4.34 32.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 71.33 112.51 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.29 -31.72 54.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 74.24 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.757 HD12 ' HB2' ' A' ' 92' ' ' GLU . 7.7 mt -116.01 177.2 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.896 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 16.0 mp0 -125.49 149.21 64.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 74.21 110.935 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.622 2.215 . . . . 72.44 112.392 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -86.23 -49.15 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.857 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -44.33 87.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 65.44 110.846 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 99' ' ' GLU . . . -59.87 -38.29 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 64.35 111.135 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -75.14 -31.15 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 51.43 110.936 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -24.51 34.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.885 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -76.48 -24.38 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.901 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.02 16.72 8.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 65.01 112.455 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -89.76 -54.11 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 72.02 110.884 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 103' ' ' ALA . 1.7 mt -95.72 -177.59 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.45 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.95 127.21 5.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 83' ' ' ILE . 11.4 tp -91.46 107.04 18.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.908 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -49.41 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.91 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -89.34 -170.49 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.922 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.5 -151.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 65.35 112.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.1 t -151.32 158.92 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 73.52 111.115 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.867 HD12 HD11 ' A' ' 104' ' ' LEU . 15.9 tt -78.28 -28.33 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 64.52 111.111 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.59 -12.85 1.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 52.21 111.087 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.449 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -90.74 -23.73 20.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 65.15 111.075 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.58 -5.77 59.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.894 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.1 -60.84 7.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 70.34 111.134 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.2 Cg_endo -69.84 -18.59 36.54 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.748 2.299 . . . . 74.4 112.343 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 4.2 m-85 -115.34 57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.902 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -94.54 -38.33 10.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 42.33 111.074 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -74.43 -30.47 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.935 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 33' ' ' ALA . . . -53.91 -15.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 65.12 111.072 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . . . -67.21 -47.84 69.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 62.11 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -45.42 -33.43 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 63.21 110.957 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -79.12 -46.67 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 55.13 110.86 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -52.24 -55.5 20.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.88 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 12.1 p -61.48 -34.18 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.122 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -65.52 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.838 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 23' ' ' LEU . 46.6 t -57.38 -44.29 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.126 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -47.03 -30.28 2.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 75.12 111.034 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -80.01 -37.23 34.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.878 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.39 -18.77 62.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 62.22 110.9 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.45 -50.33 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.42 111.102 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.02 86.36 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.22 111.09 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 63.1 p -139.54 178.46 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 62.32 110.801 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 51.97 176.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.796 -0.716 . . . . 43.32 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 170.77 15.82 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 75.32 112.353 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.1 p -57.23 129.86 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 42.32 110.871 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 51.5 p -135.64 136.8 41.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.15 110.861 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 54.52 112.515 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 21.05 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -159.48 101.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 74.23 110.869 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.14 141.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.23 110.861 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.77 130.68 5.45 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 43.34 112.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 p -177.47 132.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 73.04 110.904 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -60.68 115.84 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.96 173.91 1.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.674 -0.774 . . . . 74.32 112.487 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttt -95.31 -51.37 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 62.51 110.894 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -102.97 104.24 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 62.13 110.906 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt -108.08 171.06 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 52.1 110.882 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 56.68 35.82 26.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 p -90.87 164.34 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 32.14 111.127 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.5 -38.69 55.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 61.35 110.839 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -56.18 22.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.043 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -59.41 -38.08 79.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.81 97.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 62.32 111.087 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.31 -54.8 6.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.915 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.84 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.34 111.134 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HA ' HG21 ' A' ' 136' ' ' VAL . 11.1 t80 -64.13 -30.85 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.3 t -69.51 -43.3 73.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -42.37 57.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.884 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.44 -34.98 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.936 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.63 -40.67 84.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 72.03 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -55.1 -26.35 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 63.1 110.895 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.19 -38.8 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.922 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.53 98.56 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.902 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -38.14 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.962 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.76 -45.19 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 71.31 111.17 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' OH ' HD13 ' A' ' 62' ' ' LEU . 8.0 t80 -58.49 -60.88 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.933 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.55 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -42.88 -40.02 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.879 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -77.98 -32.55 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 64.23 110.953 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' CB ' ' HG3' ' A' ' 128' ' ' GLU . . . -67.5 -39.79 85.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.2 111.139 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.46 30.63 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.123 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 35' ' ' THR . 1.2 p -66.46 151.15 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 61.23 110.838 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.6 OUTLIER 84.46 -21.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.153 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 2.8 t-105 -66.28 133.41 50.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -133.5 130.45 38.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.878 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.26 -177.26 18.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.786 -0.721 . . . . 61.41 112.467 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.4 p -116.97 139.96 50.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 53.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.0 tp -103.12 135.52 44.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.45 127.43 46.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.08 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.07 103.37 12.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.936 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.97 135.62 33.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 64.14 111.097 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.526 HG22 ' CD1' ' A' ' 90' ' ' TRP . 41.7 t -112.65 120.28 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.177 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -49.93 142.78 12.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.549 0.69 . . . . 75.23 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 52.8 Cg_endo -69.82 136.23 32.3 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.668 2.245 . . . . 71.43 112.394 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.58 133.3 4.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.559 0.695 . . . . 63.22 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -34.04 15.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.717 2.278 . . . . 74.33 112.331 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -45.88 -37.55 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.02 -29.46 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 40.13 111.126 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.89 40.73 1.52 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 54.32 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -148.05 83.95 7.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.673 0.749 . . . . 63.31 110.83 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -0.7 7.26 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 75.13 112.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.419 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -127.34 -8.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 72.21 110.86 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.42 -177.35 52.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 53.24 112.501 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -146.08 150.43 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.844 0.354 . . . . 72.32 111.116 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -127.24 148.28 50.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 61.3 111.088 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.97 117.36 25.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 73.34 111.128 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 60' ' ' LEU . 76.2 t -85.09 161.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 45.23 111.058 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.3 mt -157.18 86.53 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.887 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 12.4 t0 -68.72 104.54 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.916 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD13 ' OH ' ' A' ' 29' ' ' TYR . 4.0 mt -111.16 128.59 55.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 70.01 110.918 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -119.43 103.63 9.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.221 -0.445 . . . . 62.01 110.951 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 64.24 47.38 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 70.45 110.837 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.33 -25.61 4.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 63.32 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.55 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.9 161.1 24.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.342 . . . . 71.3 111.146 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.97 128.49 55.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -97.58 -58.31 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 65.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.13 176.53 32.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 52.32 112.465 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.22 149.01 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 72.24 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -148.67 135.18 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.15 140.95 31.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.23 111.147 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -148.3 123.34 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.133 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.86 124.47 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.51 -80.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 72.02 112.449 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -136.03 123.6 22.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.381 . . . . 74.23 110.899 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -111.96 -167.1 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 71.44 111.136 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.41 130.28 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.846 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -173.49 164.14 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 65.02 111.083 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -16.13 62.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.788 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HD1' HD21 ' A' ' 111' ' ' LEU . 66.9 m-85 -146.57 108.5 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.833 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.2 t -117.44 119.01 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 73.03 111.174 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.3 mt -117.62 125.91 74.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.52 111.07 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 131.84 56.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 64.54 110.885 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.11 164.23 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 52.2 111.15 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -54.79 135.67 47.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.824 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -47.92 -41.16 24.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 64.1 110.922 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.9 -52.91 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.125 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 HD21 ' A' ' 109' ' ' LEU . 40.4 m -57.13 -34.09 68.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.117 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.526 ' CD1' HG22 ' A' ' 44' ' ' VAL . 37.0 m95 -71.13 -43.89 66.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -62.66 -34.43 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.887 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.905 ' HB2' HD12 ' A' ' 98' ' ' LEU . 2.0 mt-10 -63.14 -63.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.893 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' TRP . 7.3 p -47.68 -23.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 44.42 111.013 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.72 -40.33 17.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.79 -10.77 58.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 64.15 110.899 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.07 -7.87 72.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 73.21 112.511 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -73.09 -37.04 66.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 74.21 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.9 mt -107.88 -173.21 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.54 110.985 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.31 144.99 53.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 61.11 110.934 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.892 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.8 Cg_endo -69.77 -31.67 20.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 70.02 112.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.537 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -94.48 -41.63 9.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.2 110.915 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -45.63 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 74.05 110.924 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.75 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 64.32 111.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -69.69 -31.54 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 51.31 110.898 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -78.31 -19.99 52.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 52.35 110.82 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -85.24 -24.02 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.883 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.35 4.14 18.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.772 -0.728 . . . . 43.03 112.451 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 73.45 110.864 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 104' ' ' LEU . 17.1 mt -93.77 153.27 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.964 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.33 119.09 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 72.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.417 HD21 ' HD1' ' A' ' 81' ' ' PHE . 9.6 tp -88.53 102.13 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.3 110.897 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -65.45 -53.82 37.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 60.43 110.852 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -79.22 -172.48 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.931 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.27 -141.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 62.21 112.46 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 158.89 30.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 62.15 111.118 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.762 ' CD1' HD11 ' A' ' 104' ' ' LEU . 17.0 tt -71.22 -27.88 30.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.059 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.48 -10.98 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 60.15 111.096 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.76 -25.06 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.22 111.081 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -86.18 -5.02 59.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.928 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -42.95 -61.06 1.91 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.665 0.745 . . . . 25.42 111.12 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 54.2 Cg_endo -69.68 -41.68 4.17 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.655 2.237 . . . . 72.23 112.392 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.02 49.43 1.53 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 73.43 110.864 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.48 -33.53 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 70.24 111.179 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -88.15 -42.61 12.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.955 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.81 -31.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 65.15 111.149 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.892 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -47.04 -52.18 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 51.21 111.096 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.85 -35.31 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.929 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' HG3' ' CB ' ' A' ' 32' ' ' ALA . 47.6 mm-40 -66.11 -57.53 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 54.12 110.878 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.46 -51.38 47.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.914 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.05 -39.25 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.105 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -53.75 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 65.12 110.926 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.21 -41.47 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 72.54 111.088 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.491 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . . . -38.84 -45.46 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 32.44 111.136 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -65.09 -50.09 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.55 -36.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.809 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.711 HG21 ' HA ' ' A' ' 19' ' ' TYR . 61.1 t -72.85 -60.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 53.32 111.152 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.84 86.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 63.24 111.154 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.6 m -94.18 -46.03 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 63.24 110.884 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.34 165.94 27.55 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.755 -0.736 . . . . 74.22 112.522 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.68 2.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.623 2.215 . . . . 73.24 112.392 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.43 103.13 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.51 110.865 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 p -57.0 -48.24 78.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 45.23 110.86 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.691 -0.766 . . . . 74.43 112.475 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 51.41 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -175.78 159.17 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.308 . . . . 73.43 110.967 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.8 -44.43 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.877 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.35 71.35 0.94 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.752 . . . . 52.42 112.446 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.48 167.96 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 75.15 110.862 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -106.98 142.61 36.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.811 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.93 93.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 63.15 112.514 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -39.19 -46.14 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 64.14 110.841 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.24 111.51 22.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.881 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.21 28.08 9.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.922 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' CE2' HG21 ' A' ' 44' ' ' VAL . 83.2 m-85 -145.55 59.35 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.45 110.863 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 p -115.29 142.63 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 64.52 111.163 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -39.56 -35.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 65.22 110.859 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 -53.08 60.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.116 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -68.15 -44.96 74.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 52.24 110.883 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.43 80.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.092 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -76.01 -54.8 6.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 73.32 110.905 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -40.99 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.53 111.088 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' HA ' HG21 ' A' ' 136' ' ' VAL . 19.3 t80 -67.36 -28.6 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.9 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.98 -43.07 88.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 53.24 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -43.63 29.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.937 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -49.14 -29.47 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' A' ' 132' ' ' VAL . 77.2 mt -72.89 -42.44 63.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -55.55 -24.22 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.866 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.4 -37.79 65.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.878 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.29 103.1 8.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.791 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.53 -46.16 91.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.978 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.62 -49.82 18.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 73.34 111.168 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 6.3 t80 -54.97 -57.95 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.922 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' NE ' ' HB2' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -44.96 -48.97 11.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.879 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -65.94 -38.43 88.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.52 110.954 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.75 92.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 53.01 111.081 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.34 36.52 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.51 136.01 55.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 70.52 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 35' ' ' THR . 9.1 m 67.96 15.45 9.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 75.43 111.101 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.45 ' CD1' ' HB2' ' A' ' 62' ' ' LEU . 9.8 t-105 -51.57 -59.73 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 63.66 133.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.23 110.86 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.52 156.48 24.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 72.13 112.505 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -106.35 144.43 33.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.377 . . . . 64.35 110.857 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 tp -103.32 151.09 23.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.24 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . . . -137.8 125.94 22.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 53.51 111.093 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CZ3' ' A' ' 90' ' ' TRP . 12.8 mt -107.4 94.83 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.932 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -87.51 139.3 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.119 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.689 HG22 ' CD1' ' A' ' 90' ' ' TRP . 45.4 t -115.88 122.21 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 54.23 111.212 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -50.13 145.26 9.95 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 74.2 110.909 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.1 Cg_endo -69.83 130.41 19.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 71.53 112.307 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.54 138.06 6.21 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.557 0.694 . . . . 70.54 110.921 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -35.19 13.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.53 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.2 -31.62 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 63.14 110.914 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -102.02 -28.7 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.046 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.3 41.29 1.8 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 51.43 112.527 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -155.88 81.7 3.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 75.53 110.884 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -0.36 6.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.69 2.26 . . . . 74.4 112.364 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 14.0 ptpt -115.79 -18.57 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.892 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.0 155.66 28.12 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.445 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 74' ' ' GLU . 6.4 p -125.14 148.05 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 73.13 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -125.53 136.16 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.44 111.138 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.14 116.13 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.133 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG12 ' N ' ' A' ' 60' ' ' LEU . 45.3 t -85.45 163.5 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.131 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.581 ' N ' HG12 ' A' ' 59' ' ' VAL . 35.1 mt -156.52 82.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.901 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 27.8 t0 -65.15 102.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.786 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 36' ' ' TRP . 7.1 mt -104.3 142.3 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -131.58 115.52 16.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.855 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 47.32 34.91 3.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.845 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.28 -32.95 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 72.15 112.518 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB2' ' NE ' ' A' ' 30' ' ' ARG . . . -85.72 122.16 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 71.51 111.108 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.73 171.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 61.23 110.867 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -143.22 -50.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.895 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.33 171.59 31.57 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 60.33 112.513 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.29 125.27 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.384 . . . . 43.43 111.044 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -130.52 139.76 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 73.45 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.7 131.91 52.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 75.02 111.094 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 77' ' ' ALA . 1.1 p -143.4 130.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.095 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 56' ' ' VAL . 31.9 mt-10 -91.76 137.19 32.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.75 -82.85 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.512 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.82 122.15 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 52.23 110.883 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -109.21 177.69 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.24 111.103 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -131.08 123.95 29.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.868 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -168.21 158.67 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.113 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.34 73.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.246 -0.434 . . . . 72.53 110.81 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -126.09 91.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.906 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.45 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 59.0 t -99.77 133.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 55.44 111.154 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.733 HG12 HD12 ' A' ' 111' ' ' LEU . 26.3 mt -135.32 132.89 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 64.14 111.178 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -120.57 137.23 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.927 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.63 169.19 23.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 72.14 111.106 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.03 130.11 41.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.898 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.664 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 34.3 tp -40.18 -45.11 1.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 63.4 110.868 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.46 62.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 54.44 111.121 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.3 m -71.6 -30.18 65.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 61.21 111.16 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 22.5 m95 -71.76 -54.74 9.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 73.44 110.9 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 2.3 mt-30 -43.01 -41.2 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 61.03 110.971 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.874 ' HB2' HD12 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -59.08 -67.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 54.3 110.889 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.3 t -38.19 -50.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 73.04 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD11 ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -70.74 -31.79 68.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.924 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' GLU . 3.1 mm-40 -68.99 -19.18 64.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 72.2 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 99.81 -12.03 60.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 74.25 112.475 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -24.4 57.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.42 110.88 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.874 HD12 ' HB2' ' A' ' 92' ' ' GLU . 16.8 mt -126.2 -177.88 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.05 110.935 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.99 148.82 64.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.697 0.76 . . . . 64.14 110.889 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.5 Cg_endo -69.73 -26.96 27.18 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.73 2.286 . . . . 63.41 112.339 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -92.76 -45.87 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.54 110.943 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.42 89.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.818 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -56.78 -56.32 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.088 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.639 HD11 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -56.26 -34.62 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 65.02 110.955 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.401 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -76.11 -31.86 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.895 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -74.99 -21.91 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.88 22.86 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.692 -0.766 . . . . 75.5 112.471 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 103' ' ' ALA . 54.9 mt -92.27 -53.99 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 73.53 110.844 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 mt -92.7 -178.77 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.834 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.72 118.46 3.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.888 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.733 HD12 HG12 ' A' ' 83' ' ' ILE . 13.2 tp -83.65 110.4 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 61.33 110.921 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -47.04 24.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.34 110.92 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -95.13 -163.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.911 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.31 -142.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 43.31 112.439 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -161.77 150.68 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.735 0.303 . . . . 70.44 111.256 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 104' ' ' LEU . 11.3 tt -65.34 -32.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 71.12 111.1 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.67 -13.21 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 61.03 111.132 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.79 -1.7 57.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 71.34 111.083 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mt -108.46 1.32 21.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -55.37 -60.66 7.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.566 0.698 . . . . 61.32 111.088 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 52.9 Cg_endo -69.82 -28.91 24.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.272 . . . . 74.44 112.314 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 9.9 m-85 -106.38 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.941 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . . . -94.1 -22.63 18.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.071 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.36 -44.32 8.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.916 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -41.52 -34.71 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.11 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -42.03 -55.26 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 63.0 111.069 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.21 -37.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.919 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -65.01 -63.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 63.45 110.922 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.499 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -38.47 -45.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 44.33 110.929 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 131' ' ' LYS . 59.2 t -61.11 -53.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.137 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -37.47 -62.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.866 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' HB ' HD23 ' A' ' 23' ' ' LEU . 94.8 t -64.87 -43.68 96.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 54.34 111.137 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.614 ' HB1' HD11 ' A' ' 94' ' ' LEU . . . -48.15 -20.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 14.2 111.117 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 14.6 mtp-105 -90.97 -40.75 11.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 65.24 110.925 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -51.89 -36.15 47.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 19' ' ' TYR . 39.3 t -72.56 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.03 111.131 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.98 -161.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 51.32 111.097 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.26 161.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.854 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 162.19 91.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 71.51 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.0 46.73 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.664 2.243 . . . . 73.52 112.314 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.9 p -95.93 125.3 40.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 42.5 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.9 139.43 30.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 74.25 110.82 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 75.33 112.448 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.507 -0.237 . . . . 41.42 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -163.13 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 71.12 110.867 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m 62.23 158.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 71.24 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.66 168.17 12.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 52.32 112.517 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.05 96.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.383 . . . . 74.43 110.887 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.6 150.02 17.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 71.43 110.89 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.13 143.53 5.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 63.51 112.472 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 -54.93 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 75.2 110.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.58 154.58 28.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.873 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' THR . 76.2 mt -110.63 176.97 4.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 40.75 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 10' ' ' LEU . 21.5 p -103.82 154.9 19.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 71.5 111.053 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -38.58 -40.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -54.26 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 64.34 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.764 ' CZ2' HD21 ' A' ' 94' ' ' LEU . 67.8 t90 -63.45 -33.12 74.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.923 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -42.8 71.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.065 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -74.54 -53.35 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.71 -42.28 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.22 111.128 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.714 ' HA ' HG21 ' A' ' 136' ' ' VAL . 7.6 t80 -65.19 -31.58 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 54.54 110.949 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -70.86 -43.79 67.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 62.32 110.886 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -44.05 56.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.951 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -47.44 -37.7 12.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.9 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.12 -48.43 76.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 55.54 110.888 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.53 -27.46 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 53.32 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.48 -30.34 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 71.34 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 82.42 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 54.01 110.826 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.36 -38.18 18.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 70.44 110.947 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -46.9 66.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.35 111.079 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 16.9 t80 -61.39 -60.44 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HE ' ' HB2' ' A' ' 66' ' ' ALA . 3.7 ttt180 -49.72 -39.76 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 50.33 110.871 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -65.78 -42.29 90.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 70.04 110.893 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.64 -51.23 61.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.162 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -97.55 41.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 t -82.58 41.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 52.23 110.839 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.669 HG23 ' HE1' ' A' ' 122' ' ' TYR . 6.0 t -162.5 27.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 73.34 111.181 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.416 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 5.2 t-105 -99.26 138.73 35.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.905 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.5 111.66 11.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 61.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.91 -169.28 24.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 74.45 112.462 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.8 p -127.78 142.57 51.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 63.05 110.857 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.4 tp -110.71 128.97 55.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.69 126.29 49.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 55.2 111.111 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.85 98.92 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 64.5 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -89.48 149.34 22.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.5 111.118 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.806 HG22 ' CD1' ' A' ' 90' ' ' TRP . 73.5 t -125.27 124.09 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -45.39 145.01 2.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 75.51 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.0 Cg_endo -69.77 129.16 17.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.658 2.238 . . . . 60.22 112.317 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.86 134.31 5.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 74.52 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -30.89 21.72 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.715 2.276 . . . . 73.03 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.3 -30.88 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.9 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.52 -29.24 10.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 45.31 111.14 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.83 38.99 1.63 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.701 -0.761 . . . . 74.33 112.447 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -146.2 83.87 8.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.699 0.761 . . . . 71.33 110.869 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.69 7.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 74.12 112.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 13.5 ptmt -123.28 -25.3 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 73.11 110.896 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.19 152.85 27.71 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.406 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG23 ' CG ' ' A' ' 74' ' ' GLU . 3.0 p -110.45 154.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 73.41 111.166 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.28 112.1 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.32 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 t -100.06 118.54 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 51.42 111.134 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 60' ' ' LEU . 25.4 t -85.97 162.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.073 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.543 ' N ' HG12 ' A' ' 59' ' ' VAL . 57.9 mt -155.21 82.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.886 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 28.1 t0 -66.31 107.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.836 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mt -112.15 159.16 18.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 70.31 110.988 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.418 ' CE2' ' CD2' ' A' ' 64' ' ' HIS . 63.7 t-105 -154.39 110.01 3.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 70.14 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' CD2' ' CE2' ' A' ' 63' ' ' TRP . 11.7 m-70 53.36 43.36 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 87.95 -20.03 30.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.767 . . . . 34.21 112.546 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' ' HE ' ' A' ' 30' ' ' ARG . . . -80.52 170.13 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.894 0.378 . . . . 62.25 111.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -129.45 104.86 7.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.811 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -57.41 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.874 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.81 -178.12 40.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 70.34 112.476 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 59' ' ' VAL . . . -153.74 160.39 42.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 61.2 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -151.35 138.24 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.853 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.13 122.88 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.51 111.074 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.5 p -134.17 131.8 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.147 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' CG ' HG23 ' A' ' 56' ' ' VAL . 9.8 mt-10 -101.85 120.97 41.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.862 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.32 -82.43 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 64.55 112.516 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -128.09 119.04 24.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.827 0.346 . . . . 74.13 110.92 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.85 167.6 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.42 111.138 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.36 112.91 16.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.43 110.856 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.13 152.02 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 71.51 111.076 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -66.78 -35.59 80.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -119.76 99.97 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 81.9 t -110.47 123.12 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 72.43 111.091 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.2 mt -120.1 129.5 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.182 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -121.93 133.25 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 73.3 110.894 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.597 ' CB ' HD23 ' A' ' 109' ' ' LEU . . . -161.66 167.04 25.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.075 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -57.7 142.74 44.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.855 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.2 tp -58.07 -37.26 74.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 63.52 110.948 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.58 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.121 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.2 m -74.51 -33.49 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 70.43 111.183 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.806 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.3 m95 -67.8 -52.04 41.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.91 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.98 -39.99 2.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.953 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -61.86 2.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.882 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HD3' ' A' ' 100' ' ' PRO . 97.6 t -48.34 -35.66 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 64.41 111.104 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.764 HD21 ' CZ2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -80.31 -20.67 43.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 65.54 110.9 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.49 -16.55 57.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.847 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.34 6.48 66.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 74.45 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.67 -31.03 11.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 75.13 110.869 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -112.04 169.95 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 62.41 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.42 146.89 51.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 72.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD3' HG13 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.79 -34.03 15.29 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 72.02 112.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 104' ' ' LEU . 2.8 mm? -87.84 -34.66 18.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -72.53 -49.08 35.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 74.42 110.853 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . . . -55.94 -39.5 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 51.25 111.117 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.06 -26.91 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.912 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -27.19 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.88 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 13.8 mtp-105 -78.37 -19.66 52.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.864 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.08 9.15 24.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 61.22 112.524 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.57 -54.24 6.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.24 110.892 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD22 ' CH2' ' A' ' 90' ' ' TRP . 5.1 mt -91.53 -169.01 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 62.5 110.929 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -162.96 128.66 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.02 107.98 19.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -47.68 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 64.02 110.868 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -96.65 -156.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.878 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' ASP . . . 34.71 -146.64 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.759 . . . . 60.31 112.459 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 6.3 t -155.24 142.92 19.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.754 0.312 . . . . 61.25 111.176 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.444 HG13 HD12 ' A' ' 119' ' ' LEU . 6.5 tt -65.76 -33.08 61.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.132 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.74 -12.24 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.11 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -97.61 4.78 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 54.2 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 5.3 mt -112.79 -2.89 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 41.31 110.969 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -56.66 -59.83 11.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.574 0.702 . . . . 62.44 111.081 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.8 Cg_endo -69.74 -40.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.254 . . . . 71.34 112.338 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 35' ' ' THR . 18.4 m-85 -89.94 38.48 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.935 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . . . -92.52 -35.45 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 70.42 111.095 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -26.41 53.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.964 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.87 45.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 65.23 111.074 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.88 82.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 64.2 111.092 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -46.0 -27.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 33.02 110.918 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -87.34 -42.77 12.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.33 110.931 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.503 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.3 mt -59.0 -45.98 89.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 93' ' ' VAL . 11.2 p -67.4 -36.15 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.22 111.137 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -51.21 -60.95 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 52.44 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.25 -35.98 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.13 111.105 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -42.73 -40.65 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.042 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 135' ' ' GLU . 42.0 mtp180 -71.46 -48.9 46.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.42 . . . . 73.24 110.838 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 134' ' ' ARG . 5.6 mm-40 -37.66 -52.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 72.24 110.869 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.714 HG21 ' HA ' ' A' ' 19' ' ' TYR . 25.3 t -62.11 -46.38 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.056 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.13 145.99 55.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 72.14 111.022 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 94.1 p -172.56 114.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 63.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.91 177.11 30.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 63.14 112.514 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.84 -177.39 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 100.0 p -117.65 174.12 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 64.3 110.911 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.9 t -69.22 -54.92 12.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 75.23 110.852 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 32.43 112.44 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.48 -0.248 . . . . 62.24 112.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.37 151.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 72.31 110.855 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.34 93.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 71.22 110.864 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -102.37 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.81 -0.71 . . . . 65.3 112.47 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.14 125.54 5.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 70.21 110.909 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.31 97.61 0.9 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.791 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.06 162.63 13.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.694 -0.765 . . . . 52.02 112.399 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -163.98 127.57 2.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.691 0.281 . . . . 60.34 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' C ' HD22 ' A' ' 10' ' ' LEU . 8.0 mt-10 58.02 -175.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.936 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -103.12 -58.89 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 64.1 110.907 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 44' ' ' VAL . 78.2 m-85 -103.38 77.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 71.51 110.841 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.05 164.65 19.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 52.5 111.153 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.06 -35.56 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 72.23 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.14 -61.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 72.5 111.105 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -49.53 -35.28 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.929 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.28 75.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.13 111.097 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.67 -44.35 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.92 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.53 111.119 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -72.77 -24.0 60.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 41.3 t -79.19 -29.92 43.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 71.1 110.915 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -90.84 -26.66 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -19.76 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.876 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 mt -78.2 -37.41 45.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.931 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -57.65 -28.28 63.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 60.14 110.895 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.93 -27.6 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 132' ' ' VAL . 0.5 OUTLIER -78.46 83.51 4.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 50.32 110.833 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -57.32 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 72.41 110.851 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.26 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 43.42 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 129' ' ' LEU . 12.5 t80 -56.4 -59.53 4.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 75.52 110.876 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.07 -36.78 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -69.87 -46.55 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 61.23 110.944 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.27 -51.17 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.187 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.85 42.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 33.23 111.171 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.3 t -83.76 54.53 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.833 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.5 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 62.22 111.105 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CD1' ' C ' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -50.82 137.87 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 70.02 110.903 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -128.11 147.09 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.851 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.47 -161.28 12.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.764 . . . . 71.21 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 61' ' ' ASP . 88.3 p -137.66 143.77 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.947 0.403 . . . . 72.31 110.86 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.1 155.92 17.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 74.13 110.921 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.51 124.52 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 53.0 111.111 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -103.51 101.2 11.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 148.04 23.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 64.14 111.08 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' CE2' ' A' ' 11' ' ' PHE . 74.8 t -127.61 121.62 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.02 111.123 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -48.46 142.91 7.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 74.45 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 54.3 Cg_endo -69.79 143.71 51.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 70.11 112.344 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.79 140.52 0.82 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 55.15 110.84 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ALA . 54.1 Cg_endo -69.75 -43.89 2.4 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.71 2.273 . . . . 73.33 112.35 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.3 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.885 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . -106.53 -25.52 11.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.04 111.16 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 48' ' ' PRO . . . 102.03 37.88 3.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 64.1 112.498 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -139.5 81.74 19.73 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.604 0.716 . . . . 73.53 110.797 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.61 7.17 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.775 2.317 . . . . 64.2 112.373 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 7.6 tptp -123.25 -38.05 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 119.69 174.9 15.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 74.1 112.533 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.61 140.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 64.42 111.123 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . -138.55 132.31 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.079 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.4 121.56 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 55.32 111.092 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 60' ' ' LEU . 24.5 t -87.44 161.79 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.5 111.106 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 ' N ' HG12 ' A' ' 59' ' ' VAL . 25.8 mt -154.82 86.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 52.1 110.886 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HA ' ' CB ' ' A' ' 39' ' ' SER . 11.7 t0 -70.75 100.53 1.91 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.823 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.0 mt -94.79 162.72 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.853 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' ALA . 33.5 t-105 -146.98 90.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.929 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 58.44 39.66 24.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.43 -32.36 7.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 71.23 112.46 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' TRP . . . -90.98 128.98 37.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 74.32 111.127 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.99 175.83 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.912 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.51 -49.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.861 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.28 155.23 25.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 54.53 112.442 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 20' ' ' CYS . . . -159.07 133.66 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.815 0.341 . . . . 64.41 111.123 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -149.66 164.35 35.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.63 153.1 25.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.119 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 76' ' ' GLU . 2.5 t -134.36 157.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 53.25 111.111 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -100.61 97.67 8.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 79.16 -42.51 2.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 71.2 112.483 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' HB3' HG11 ' A' ' 73' ' ' VAL . 2.7 mt-10 -68.75 176.29 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 72.44 110.892 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -178.55 117.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 75.31 111.158 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -132.49 130.25 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 70.1 110.875 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 169.48 152.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.083 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.24 -32.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 71.24 110.853 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' CD1' ' HA3' ' A' ' 114' ' ' GLY . 87.7 m-85 -135.5 128.21 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 74.55 110.935 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.6 t -133.51 130.84 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.173 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -127.43 126.3 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 74.24 111.099 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -115.38 135.2 54.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.894 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.68 166.6 28.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 63.13 111.142 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.15 130.52 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 HE21 ' A' ' 91' ' ' GLN . 29.8 tp -43.12 -45.94 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.992 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.14 -47.64 45.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.132 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 108' ' ' LEU . 70.2 m -67.08 -30.68 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 62.34 111.071 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.685 ' CD1' HG22 ' A' ' 44' ' ' VAL . 35.7 m95 -70.16 -58.05 4.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.437 HE21 HD11 ' A' ' 87' ' ' LEU . 7.4 mm-40 -42.61 -26.31 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.904 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -69.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.24 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 14.9 p -53.79 -22.98 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 72.32 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -34.51 34.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 55.54 110.956 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.17 -15.55 59.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.913 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.45 -16.4 57.91 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 54.33 112.5 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -37.56 87.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 64.14 110.84 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' HB2' ' N ' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -101.98 -171.97 2.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.925 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -134.86 144.09 49.04 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.581 0.705 . . . . 74.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 54.0 Cg_endo -69.76 -48.52 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.65 2.234 . . . . 61.21 112.342 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -76.51 -33.58 58.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 62.42 110.974 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -43.2 60.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 71.1 110.818 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.71 82.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 72.42 111.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -66.36 -38.51 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.859 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -77.65 -29.12 51.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.906 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -69.21 -24.05 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.11 16.5 10.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 74.44 112.453 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 89' ' ' THR . 45.3 mt -88.02 -50.95 6.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 70.03 110.947 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 104' ' ' LEU . 15.2 mt -87.55 -176.47 5.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.903 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.53 110.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 65.05 110.916 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 115' ' ' THR . 3.1 tp -80.38 107.32 13.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.951 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -72.97 -50.1 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 44.15 110.882 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -87.44 -163.79 0.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 71.23 110.901 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.482 ' HA3' ' CD1' ' A' ' 81' ' ' PHE . . . 35.15 -145.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.482 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.8 t -151.09 134.71 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.304 . . . . 74.12 111.155 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -61.21 -27.87 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 64.31 111.078 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.06 62.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.092 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 115' ' ' THR . . . -83.38 -22.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 61.23 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.18 -12.28 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 71.34 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -39.43 -61.77 0.94 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.541 0.686 . . . . 41.32 111.13 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.81 -41.59 4.08 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.708 2.272 . . . . 54.55 112.326 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -82.57 47.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.43 110.896 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.16 -38.91 15.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 75.23 111.152 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -78.51 -37.41 43.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 62.52 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.93 -32.3 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 70.35 111.083 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.521 ' HB1' ' HG2' ' A' ' 100' ' ' PRO . . . -58.75 -52.18 66.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.14 111.106 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -22.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -88.65 -63.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 71.33 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -40.44 -51.02 2.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.891 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 131' ' ' LYS . 3.6 p -63.36 -42.98 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 63.53 111.134 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.466 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -45.02 -55.29 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 62.34 110.86 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 26' ' ' SER . 97.5 t -70.55 -40.18 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.52 111.1 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -43.81 -44.14 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.31 111.099 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 134' ' ' ARG . 15.5 mtp-105 -65.06 -47.39 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 74.21 110.898 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.97 -33.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.921 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.8 t -77.96 -47.99 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 64.34 111.163 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -77.14 97.16 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.01 111.053 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t -120.42 93.7 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.62 140.28 2.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.68 -0.771 . . . . 52.15 112.492 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 159.63 52.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.726 2.284 . . . . 74.31 112.362 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.0 t -117.69 -60.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m 60.56 129.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.829 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 71.2 112.513 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.513 -0.235 . . . . 64.52 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.86 152.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.893 0.378 . . . . 52.23 110.842 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -116.49 161.23 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 51.03 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.13 84.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 53.41 112.432 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.12 153.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.333 . . . . 73.14 110.861 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -46.16 26.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.896 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.81 138.41 3.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.713 . . . . 64.52 112.505 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -138.39 -52.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 72.32 110.868 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -90.44 78.86 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 63.33 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -79.14 168.5 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.937 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 44' ' ' VAL . 64.4 m-85 65.29 70.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.895 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ALA . 7.1 p -128.43 136.77 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.109 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -38.47 -28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 72.35 110.923 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.78 -52.47 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 45.33 111.078 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -65.17 -38.14 89.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.956 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.71 -38.98 76.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.143 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 29.4 mm-40 -81.5 -54.98 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.25 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.074 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.599 ' HA ' HG21 ' A' ' 136' ' ' VAL . 9.2 t80 -68.67 -28.71 67.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 72.45 110.956 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.4 -38.63 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 62.22 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -38.88 46.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.93 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -57.3 -27.99 62.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.95 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 132' ' ' VAL . 80.8 mt -73.35 -37.6 66.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.863 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -58.28 -21.07 47.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.967 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.68 -32.78 35.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.899 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.79 85.91 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.827 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -56.55 -34.3 66.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 45.41 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.9 91.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 53.44 111.099 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.507 ' CE2' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 -54.86 -56.58 17.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.43 110.844 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -47.7 -41.48 22.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 64.35 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -62.97 -36.94 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.95 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 125' ' ' ALA . . . -68.43 -60.47 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.052 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.05 34.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.1 111.134 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 35' ' ' THR . 5.1 t -63.81 143.52 57.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 61.15 110.82 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 -32.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 31.45 111.115 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -43.53 110.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -114.94 111.64 21.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.272 -0.422 . . . . 65.03 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.84 -176.99 28.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 71.32 112.51 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 p -121.72 143.2 49.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.365 . . . . 51.2 110.903 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 41' ' ' ALA . 41.1 tp -107.45 159.21 16.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.956 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' N ' ' HG ' ' A' ' 40' ' ' LEU . . . -143.35 133.16 23.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.43 111.12 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.3 mt -113.27 98.69 7.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 74.14 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -93.8 153.63 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 54.2 111.096 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.97 HG22 ' CD1' ' A' ' 90' ' ' TRP . 67.6 t -130.51 129.24 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.074 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -51.61 149.14 8.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 74.55 110.869 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.61 16.29 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 75.22 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.54 137.94 9.65 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.569 0.7 . . . . 65.33 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.58 20.23 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.248 . . . . 61.12 112.399 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.23 -19.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 43.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -119.9 -7.88 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 61.12 111.111 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.42 40.23 10.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 50.55 112.47 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -140.27 81.76 17.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.695 0.759 . . . . 74.04 110.842 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.09 7.91 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.704 2.27 . . . . 65.44 112.328 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -21.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 75.11 110.842 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.38 159.03 29.99 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.732 -0.747 . . . . 51.24 112.459 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -123.54 150.25 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 41.2 111.129 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 73' ' ' VAL . . . -133.72 150.15 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 54.21 111.107 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 t -135.64 117.79 21.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 64.01 111.162 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 60' ' ' LEU . 20.1 t -86.92 158.07 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 63.11 111.171 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 59' ' ' VAL . 49.5 mt -151.98 88.27 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.917 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 61' ' ' ASP . 2.4 t0 -67.62 103.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.888 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mt -103.46 155.32 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 60.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -149.05 115.77 5.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 64.2 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 54.65 24.24 5.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 29' ' ' TYR . . . 100.63 -22.36 40.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 51.24 112.552 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.82 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 65.34 111.141 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.74 -178.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 70.43 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.46 -52.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -139.08 160.29 25.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 65.32 112.501 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -167.82 132.36 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 54.23 111.135 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.02 142.27 32.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.05 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.3 132.79 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 51.1 111.105 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -140.14 125.11 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.167 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -98.16 120.59 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.9 -69.71 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 42.42 112.482 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -148.91 124.24 10.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 72.24 110.872 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' HG13 ' A' ' 73' ' ' VAL . . . -118.4 168.19 10.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.073 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -130.76 140.05 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.877 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 175.7 153.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.23 111.132 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -16.9 48.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.44 ' HD1' HD21 ' A' ' 111' ' ' LEU . 97.1 m-85 -143.29 112.78 6.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 62.53 110.83 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.3 t -127.62 132.43 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.113 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.7 HG12 HD12 ' A' ' 111' ' ' LEU . 14.9 mt -129.14 135.62 61.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 74.1 111.17 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -123.7 133.74 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.907 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.75 162.73 29.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 54.42 111.05 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.19 148.1 15.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.871 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.81 -41.1 95.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.27 79.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 74.13 111.098 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 51.8 m -65.24 -36.22 83.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 62.01 111.158 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.97 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.8 m95 -64.89 -53.84 40.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 75.4 110.913 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 95' ' ' GLU . 10.9 mt-30 -44.67 -51.86 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.868 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.927 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.9 mt-10 -41.03 -66.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' N ' ' HB2' ' A' ' 98' ' ' LEU . 60.3 t -45.39 -57.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 63.31 111.072 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -20.67 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 63.35 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.1 mt-10 -87.72 6.28 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 53.23 110.87 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.77 -0.83 18.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 63.12 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -84.47 -19.76 32.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 72.21 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 92' ' ' GLU . 10.7 mt -130.28 -175.5 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.917 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -131.55 146.23 61.0 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.579 0.704 . . . . 64.43 110.909 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HG2' ' HB1' ' A' ' 126' ' ' ALA . 53.2 Cg_endo -69.79 -44.83 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.664 2.242 . . . . 72.4 112.348 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.56 HD23 ' CB ' ' A' ' 126' ' ' ALA . 2.7 mm? -81.08 -33.11 33.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 64.5 110.954 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -42.59 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.873 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -64.18 -29.14 70.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 52.44 111.108 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.776 HD11 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -79.59 -27.28 41.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.939 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -86.94 -30.16 21.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.872 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -21.71 61.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 65.23 110.797 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.34 29.64 4.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.776 . . . . 63.13 112.467 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 103' ' ' ALA . 15.8 mt -101.54 -47.11 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 74.04 110.933 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 mt -98.51 173.55 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.897 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.12 114.28 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.882 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 83' ' ' ILE . 11.8 tp -80.54 100.6 8.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.851 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -46.13 86.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.949 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -92.04 -168.48 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.912 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 34.54 -150.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 45.34 112.497 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.0 t -155.66 156.01 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 65.03 111.154 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.776 HD12 HD11 ' A' ' 104' ' ' LEU . 10.7 tt -72.05 -24.46 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 64.13 111.142 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.6 -15.7 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.087 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -93.5 -20.54 20.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 61.4 111.109 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.693 HD12 HG13 ' A' ' 116' ' ' ILE . 13.3 mt -84.24 -8.95 58.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.891 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.801 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -48.79 -60.87 3.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 60.21 111.111 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.801 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.6 Cg_endo -69.79 -18.92 36.6 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 72.1 112.344 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 118' ' ' ALA . 3.8 m-85 -114.29 54.62 0.76 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.971 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.16 -32.61 14.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 52.11 111.075 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 126' ' ' ALA . 4.6 mp0 -90.65 -42.28 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.51 110.94 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 32' ' ' ALA . . . -39.76 -25.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 52.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.56 ' CB ' HD23 ' A' ' 101' ' ' LEU . . . -61.36 -46.48 90.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 71.2 111.079 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.1 -31.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.933 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -81.27 -51.89 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.857 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.414 ' HG ' ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -44.8 -53.01 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.928 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.41 -25.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.159 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -65.11 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 23' ' ' LEU . 41.2 t -61.74 -24.1 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.33 111.167 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.21 -36.1 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.4 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -77.15 -34.26 56.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 72.52 110.821 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.02 -41.66 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.897 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 19' ' ' TYR . 94.6 t -72.74 -59.97 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 72.31 111.121 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' VAL . . . 34.06 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 44.53 111.112 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.87 151.87 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.834 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -148.47 70.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 52.43 112.44 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.27 . . . . 73.11 112.334 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.74 85.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 64.12 110.89 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.4 t -178.03 142.26 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 73.31 110.888 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 63.21 112.465 -179.93 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.471 -0.252 . . . . 64.12 112.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.21 136.61 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 62.24 110.865 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 171.04 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 72.15 110.85 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.71 54.17 0.55 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.453 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -144.24 147.19 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 54.2 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -142.65 117.59 9.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 61.31 110.934 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.89 176.11 54.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.817 -0.706 . . . . 51.54 112.474 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.5 tmm? -148.78 -49.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 50.13 110.885 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.06 168.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -80.65 -54.45 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.41 65.05 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.1 p -112.41 155.82 23.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 64.04 111.114 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.73 -34.71 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.81 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.82 -56.89 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.41 111.139 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -55.21 -34.31 63.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.43 -32.05 70.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.119 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -84.17 -58.18 2.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 64.32 110.909 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.94 -39.06 58.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 63.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -71.13 -29.87 65.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 64.32 110.979 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.71 -35.1 72.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 74.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -84.85 -30.3 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 52.34 110.874 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 25' ' ' GLU . 3.4 tppt? -68.39 -18.28 64.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.949 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 132' ' ' VAL . 79.8 mt -86.41 -40.57 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.905 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -61.73 -21.86 64.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.933 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 6.7 pt-20 -80.5 -36.84 32.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.089 -0.505 . . . . 75.41 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . 8.1 t -71.79 72.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 53.11 110.865 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -35.76 -46.95 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 53.51 110.922 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.54 -52.05 18.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.02 111.061 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CZ ' ' HG ' ' A' ' 129' ' ' LEU . 9.6 t80 -55.78 -60.82 2.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 70.05 110.98 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 ttt-85 -47.43 -44.04 24.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 75.53 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.47 -43.25 97.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.86 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.36 63.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.43 111.053 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' ' CA ' ' A' ' 65' ' ' GLY . . . -95.23 39.82 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 63.34 111.137 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.71 26.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 35' ' ' THR . 26.9 m -152.09 21.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.114 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -74.0 -63.37 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.879 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 58.68 89.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 72.51 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.58 -165.2 32.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.522 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.4 p -134.43 143.67 47.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 74.32 110.833 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.0 tp -120.25 137.95 53.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -124.31 136.49 54.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 75.24 111.09 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.6 mt -113.17 95.55 5.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.93 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.49 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -86.52 156.0 20.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.125 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.667 HG22 ' CD1' ' A' ' 90' ' ' TRP . 60.6 t -135.69 126.03 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 70.34 111.142 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.15 142.93 7.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 70.35 110.883 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HB3' ' C ' ' A' ' 54' ' ' LYS . 53.2 Cg_endo -69.73 133.94 26.84 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 73.03 112.346 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.16 135.71 3.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 70.14 110.903 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -33.4 16.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.666 2.244 . . . . 75.33 112.324 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -44.76 -38.33 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.23 110.874 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.37 14.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 45.45 111.159 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.15 35.89 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 75.34 112.436 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.61 86.48 12.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.68 0.752 . . . . 74.03 110.877 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.9 -3.08 11.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.272 . . . . 65.22 112.302 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' C ' ' HB3' ' A' ' 46' ' ' PRO . 5.1 tptt -125.6 -33.22 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.887 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 164.6 16.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 62.02 112.521 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.9 p -131.19 139.67 50.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.12 111.098 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . . . -128.69 112.72 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 63.13 111.08 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.76 136.49 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.2 111.104 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' C ' ' HG ' ' A' ' 60' ' ' LEU . 34.5 t -104.92 155.1 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.088 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 59' ' ' VAL . 17.6 mt -153.18 82.35 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.86 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 13.8 t0 -65.13 104.74 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.35 110.835 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt -102.18 115.73 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -117.35 103.58 10.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.913 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.79 36.31 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 74.51 110.785 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 33' ' ' ALA . . . 88.61 -25.18 9.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 62.34 112.436 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.34 126.32 33.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 75.32 111.115 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 20.4 t -70.75 83.11 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 75.53 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -42.88 -58.76 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.883 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -156.28 -179.72 31.52 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.764 -0.731 . . . . 70.4 112.474 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.55 151.94 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 72.24 111.109 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -158.22 139.98 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.961 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.96 140.74 29.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 54.04 111.151 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.14 153.6 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.01 111.168 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -113.08 98.02 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 61.04 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.43 -47.36 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 63.04 112.539 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.22 179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 75.45 110.867 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . . . -177.78 168.69 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 54.05 111.06 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 177.08 133.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.875 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 167.42 149.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.15 111.113 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -43.56 -33.89 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.24 110.886 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -133.67 126.21 30.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 41' ' ' ALA . 79.3 t -131.27 133.42 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 65.14 111.103 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 HD12 ' A' ' 111' ' ' LEU . 21.0 mt -129.82 125.37 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 61.34 111.184 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -116.46 137.29 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.825 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.69 167.48 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 65.33 111.067 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.81 129.41 39.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.868 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.2 tp -39.82 -50.36 2.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.25 110.947 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.28 -46.2 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 62.11 111.092 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.4 m -65.23 -48.23 74.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 73.53 111.091 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.667 ' CD1' HG22 ' A' ' 44' ' ' VAL . 27.7 m95 -53.29 -53.26 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.949 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.26 -57.6 3.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 72.51 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.27 -55.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.898 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.6 t -52.9 -51.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 63.45 111.153 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -37.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 44.15 110.928 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.48 -21.86 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.871 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 -23.9 34.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 71.44 112.519 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -58.68 -41.44 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.77 173.56 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' 103' ' ' ALA . 1.5 mt-10 -126.94 144.55 50.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.571 0.7 . . . . 64.12 110.911 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -42.92 3.0 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 75.42 112.358 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.5 -50.03 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.946 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -36.54 80.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.446 . . . . 72.3 110.811 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 99' ' ' GLU . . . -63.52 -55.14 26.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 45.02 111.095 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.671 ' HB3' HD12 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -25.95 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.942 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -30.3 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 72.5 110.928 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -72.02 -17.9 62.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 71.41 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.32 32.37 4.93 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 64.44 112.488 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.36 -48.15 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.796 0.331 . . . . 74.11 110.879 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 104' ' ' LEU . 5.2 mt -94.13 -176.08 3.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 60.1 110.933 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -164.63 100.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 70.15 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.451 HD12 HG13 ' A' ' 83' ' ' ILE . 5.7 tp -70.13 107.12 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.872 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -75.13 -43.49 52.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.911 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -88.19 -174.06 4.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.931 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 113' ' ' LYS . . . 36.64 -129.49 1.03 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 72.53 112.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 t -172.29 147.11 1.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.744 0.307 . . . . 62.52 111.138 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 104' ' ' LEU . 19.1 tt -57.06 -31.16 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 64.24 111.123 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.42 -14.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.068 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -91.63 0.06 57.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 71.2 111.044 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.58 -0.9 17.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 75.55 110.883 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -57.49 -60.44 9.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.531 0.681 . . . . 52.04 111.053 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.76 -43.32 2.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 73.43 112.345 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 121' ' ' PRO . 20.2 m-85 -86.33 42.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.879 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.27 -30.35 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -84.36 -42.6 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.21 -41.93 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 54.22 111.06 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -42.58 -52.63 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.091 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 126' ' ' ALA . 1.6 mm-40 -37.04 -41.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.33 110.948 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.52 -64.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.918 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.506 ' HG ' ' CZ ' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -42.66 -44.97 4.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.943 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.9 t -58.48 -57.9 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.5 111.174 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -57.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.41 110.84 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 23' ' ' LEU . 73.2 t -61.98 -49.82 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.154 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -39.81 -29.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.13 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -81.25 -51.07 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -38.73 -37.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.13 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.97 -59.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.23 111.122 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -79.01 100.9 7.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.128 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 83.1 p -102.72 110.31 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.32 110.912 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 55.25 84.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 60.4 112.487 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 163.12 39.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 72.13 112.315 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 90.05 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.856 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 137.4 54.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.871 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 74.44 112.444 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.481 -0.248 . . . . 71.43 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -135.04 178.14 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 74.51 110.832 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -107.85 137.92 45.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 53.11 110.828 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.22 -134.77 3.67 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.734 -0.746 . . . . 74.43 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.4 96.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 74.13 110.902 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.89 131.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 43.33 110.961 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 122.81 1.58 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 74.53 112.437 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.99 -48.02 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.708 0.289 . . . . 72.33 110.888 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.24 111.31 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.21 -179.13 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' HG21 ' A' ' 44' ' ' VAL . 63.0 m-85 65.36 40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.51 110.914 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 48.1 p -99.74 140.04 34.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.4 111.07 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -35.99 -41.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 142' ' ' SER . . . -57.82 -48.42 79.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 64.42 111.106 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' CH2' ' CD2' ' A' ' 19' ' ' TYR . 72.5 t90 -71.46 -40.47 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.29 87.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 72.13 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.57 -53.32 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 62.35 110.858 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.07 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.104 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' CH2' ' A' ' 15' ' ' TRP . 7.6 t80 -74.65 -30.67 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.9 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.0 t -72.35 -35.71 68.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -83.92 -37.52 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 71.21 110.859 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -56.5 -29.25 61.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 62.51 110.908 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 132' ' ' VAL . 61.8 mt -68.89 -44.47 73.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 54.3 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -49.85 -28.57 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.955 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.37 -36.27 78.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 114.76 11.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.74 -36.57 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.849 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.13 88.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 74.32 111.046 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.603 ' OH ' HD13 ' A' ' 62' ' ' LEU . 25.8 t80 -59.96 -53.91 52.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.972 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -32.79 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 74.2 110.862 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -75.54 -38.33 59.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.46 -66.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 52.02 111.133 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -47.13 -26.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.052 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -33.58 131.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 72.31 110.845 -179.732 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER 84.5 1.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.117 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 33' ' ' ALA . 14.6 t-105 -85.39 121.73 28.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.859 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.92 103.26 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.928 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.48 140.81 3.02 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 43.05 112.499 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.6 p -86.35 138.14 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 72.45 110.878 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.4 tp -100.45 145.85 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 111.03 7.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 73.32 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.1 97.13 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.12 110.888 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.473 ' O ' ' NE1' ' A' ' 90' ' ' TRP . . . -84.88 153.0 23.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.123 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 11' ' ' PHE . 19.7 t -128.26 121.07 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 43.31 111.114 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.71 141.06 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 74.34 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 130.27 19.04 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 72.2 112.379 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -164.9 135.35 3.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.676 0.751 . . . . 70.24 110.807 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -32.37 18.81 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 62.25 112.3 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -44.17 -40.41 5.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 52.41 110.851 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 87' ' ' LEU . . . -90.93 -33.66 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 61.32 111.111 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.17 34.46 1.22 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.813 -0.708 . . . . 51.34 112.539 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 56' ' ' VAL . 94.2 m-85 -150.0 80.34 7.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.676 0.751 . . . . 63.22 110.818 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 -1.77 9.11 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 52.31 112.377 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -111.48 -39.84 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.903 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . 125.59 158.02 9.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 61.14 112.401 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' CG2' ' CD1' ' A' ' 52' ' ' PHE . 77.6 t -139.9 138.37 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 64.11 111.184 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . . . -135.46 147.7 49.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.23 111.104 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.6 t -122.28 114.79 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 63.43 111.15 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 60' ' ' LEU . 30.1 t -85.51 157.74 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.091 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 59' ' ' VAL . 50.1 mt -154.47 85.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 68' ' ' ARG . 18.5 t0 -71.01 99.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.858 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD13 ' OH ' ' A' ' 29' ' ' TYR . 6.7 mt -101.98 147.61 26.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 65.21 110.932 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -128.79 110.63 12.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.874 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.7 m170 63.51 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -130.42 -13.12 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 42.43 112.493 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.86 179.25 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 62.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 62' ' ' LEU . 14.2 t -117.21 85.92 2.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 70.12 110.917 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 tpt85 -37.7 -69.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.927 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.38 -174.93 27.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 44.42 112.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.28 165.24 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 50.13 111.135 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -169.05 149.69 4.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 60.33 110.913 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.88 157.83 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.074 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 74' ' ' GLU . 75.3 t -134.21 159.54 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.51 111.14 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HG12 ' A' ' 73' ' ' VAL . 2.3 mm-40 -119.64 102.59 8.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.855 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . 116.32 -92.09 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 73.24 112.474 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.28 117.21 15.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 61.52 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . . . -85.34 171.2 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 52.31 111.067 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.23 115.92 9.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 72.54 110.944 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.29 164.72 36.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.25 111.034 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.95 -47.94 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 53.34 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -123.31 110.25 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 45.11 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.91 119.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.04 111.168 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.99 124.83 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 74.01 111.105 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -118.76 131.36 56.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.996 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.76 172.12 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -65.23 131.45 46.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.834 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 29.1 tp -44.43 -42.0 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -50.1 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 54.33 111.088 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -36.89 82.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.144 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 43' ' ' ALA . 27.4 m95 -65.01 -48.77 72.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 50.14 110.908 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.25 -41.24 49.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.893 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.753 ' HB2' HD12 ' A' ' 98' ' ' LEU . 1.4 mt-10 -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.887 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.4 t -38.29 -48.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 71.34 111.079 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 60.1 110.898 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.3 mt-10 -69.01 -22.87 64.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.52 110.868 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.59 -10.76 53.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.485 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -75.0 -34.95 62.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 75.44 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB2' ' A' ' 92' ' ' GLU . 14.8 mt -113.4 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.21 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.1 153.24 81.69 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.649 0.738 . . . . 63.42 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.22 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.707 2.271 . . . . 73.13 112.351 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 119' ' ' LEU . 3.6 mm? -80.85 -45.99 16.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.929 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -51.42 69.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 23.31 110.875 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 108' ' ' LEU . . . -54.67 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 70.1 111.099 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -53.97 -30.65 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 71.01 110.901 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -79.03 -33.09 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.868 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -73.72 -24.86 59.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.95 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.18 31.43 2.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.24 112.453 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 103' ' ' ALA . 41.3 mt -101.97 -49.45 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 72.4 110.939 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' LEU . 11.9 mt -92.09 -175.71 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.1 110.945 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -159.82 121.24 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 65.33 110.858 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.458 HD11 ' O ' ' A' ' 113' ' ' LYS . 0.4 OUTLIER -81.83 127.01 32.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.945 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -96.33 -45.41 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 61.14 110.892 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 111' ' ' LEU . 7.8 tttm -105.62 -174.13 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 70.42 110.957 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 48.43 -136.11 17.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 51.03 112.488 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.8 t -156.27 156.35 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.699 0.285 . . . . 65.43 111.151 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.37 -24.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 72.55 111.174 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.87 -9.96 58.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.12 111.077 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.39 -23.4 27.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.12 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.574 ' HB3' HD11 ' A' ' 101' ' ' LEU . 9.5 mt -83.55 -2.48 56.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.923 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.783 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . . . -50.52 -60.11 6.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.484 0.659 . . . . 70.25 111.08 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.783 ' HD3' ' HB3' ' A' ' 120' ' ' ALA . 53.9 Cg_endo -69.68 -43.45 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.731 2.288 . . . . 54.42 112.405 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -84.59 50.46 1.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 70.31 110.975 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.49 -29.57 21.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 63.45 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.82 -47.01 10.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -40.37 -42.15 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 72.14 111.08 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -51.83 -51.65 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -44.12 -36.65 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.954 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.24 -61.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 64.41 110.937 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 126' ' ' ALA . 6.7 mt -38.37 -45.81 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 54.1 110.922 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 61.2 t -59.95 -55.28 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 63.14 111.146 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -39.17 -63.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.13 110.943 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' A' ' 23' ' ' LEU . 81.0 t -58.54 -39.77 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.154 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 19' ' ' TYR . . . -51.36 -28.95 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 61.24 111.07 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -80.84 -34.96 33.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.911 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.62 -43.11 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.89 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.2 -60.76 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.118 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.59 -174.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.093 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.21 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 53.53 110.862 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 146.71 65.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 75.23 112.532 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -49.1 0.6 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.747 2.298 . . . . 73.22 112.359 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 167.34 21.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 73.02 110.874 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 16.4 t -107.04 -50.13 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 22.45 110.825 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.672 -0.775 . . . . 71.42 112.523 -179.944 . . . . . . . . 0 0 . 1 stop_ save_