data_2lya_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 2lya _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 ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.898 0.38 . . . . 75.3 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 73.43 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 71.04 110.849 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.31 111.113 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.917 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 75.24 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 70.42 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.947 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.52 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 75.51 111.17 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 75.2 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 74.44 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.137 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 72.5 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.888 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 61.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.33 111.151 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 75.52 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 73.5 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.906 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.11 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 73.42 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.04 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.091 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 60.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.13 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 65.5 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 65.25 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.854 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 75.01 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 74.4 110.85 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.895 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.53 111.127 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 73.01 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 75.11 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 74.04 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 75.41 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 73.25 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.932 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.5 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.53 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 74.01 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.53 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 55.45 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.4 111.154 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 75.13 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 75.12 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 71.21 110.915 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.15 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 65.43 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.145 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 72.4 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 75.42 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 75.31 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.953 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.859 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 70.13 110.741 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 74.01 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.23 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.03 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.923 0.392 . . . . 75.1 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 44.14 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.13 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.31 111.094 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 74.14 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.882 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 74.42 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.53 110.785 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 74.23 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 75.23 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 63.52 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 72.4 110.941 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.94 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 64.53 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.32 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 65.24 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 74.05 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 73.52 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 64.3 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.23 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.33 110.948 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.23 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 51.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.2 111.107 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 73.44 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.24 111.125 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.135 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 74.23 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.885 0.374 . . . . 75.52 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.912 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.15 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 73.11 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 75.2 111.149 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.857 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 73.13 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 62.33 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 70.23 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 72.23 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.51 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.955 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 72.14 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 71.43 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 72.31 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.93 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 75.43 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.842 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 62.3 112.477 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 72.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.962 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 72.14 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.897 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 70.11 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.113 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 71.22 110.812 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.15 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.03 111.144 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 71.14 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 62.03 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.25 110.86 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.15 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.54 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.88 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 74.5 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 74.44 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 72.42 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.868 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 64.0 110.773 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 74.21 111.197 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 72.1 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 72.11 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 75.21 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 75.22 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.947 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.124 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 75.23 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.41 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.44 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.31 110.945 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.54 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.142 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.123 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 73.54 111.153 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.51 111.122 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 64.52 111.166 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 75.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.093 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 73.15 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.923 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.872 0.368 . . . . 73.53 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 62.12 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 62.14 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 63.03 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.96 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.41 110.999 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 73.34 111.105 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.41 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 74.42 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 71.31 111.064 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 75.42 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 71.31 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 62.04 110.925 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 62.44 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.941 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 63.03 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.32 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 61.4 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 74.45 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.135 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 53.2 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 75.11 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.938 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 75.41 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.871 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.913 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.916 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 64.43 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 74.2 111.073 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.964 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.42 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 70.51 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.42 111.148 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.095 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.934 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.931 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 74.01 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.43 111.136 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 75.01 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 61.23 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.3 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 75.23 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 74.25 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 73.1 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 54.41 110.94 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 50.23 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.193 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 50.3 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.11 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 74.15 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.905 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 70.44 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.51 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.54 110.955 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 52.34 111.165 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.044 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 75.34 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 73.2 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 74.41 111.121 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.13 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.963 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 73.42 110.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 72.05 111.063 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.102 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.905 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 74.31 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 63.45 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 75.22 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 63.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.961 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.5 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.01 111.185 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 71.33 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 74.13 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 65.13 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.11 111.196 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.53 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 65.45 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 65.5 110.923 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.467 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 74.41 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 75.32 112.533 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 70.22 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.25 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.136 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 73.34 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 64.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.44 111.071 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 65.41 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.53 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.32 110.903 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.22 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.907 0.384 . . . . 74.02 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 75.42 110.883 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.53 111.157 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 72.22 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 63.2 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.936 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 72.21 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 72.2 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 74.33 110.939 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.55 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 75.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 70.41 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 75.21 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 74.31 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 61.03 112.476 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 65.12 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 70.02 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 61.52 111.156 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.2 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.123 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.982 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.33 111.135 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 75.05 110.83 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 73.42 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.137 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.13 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.078 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 74.4 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.55 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 71.14 110.861 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.2 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 74.13 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.938 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 70.33 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 74.22 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.924 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.959 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 75.12 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.945 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.34 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.34 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.25 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 73.15 111.142 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 64.35 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 61.44 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 75.1 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 74.11 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.909 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.53 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 61.13 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 75.55 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.968 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.45 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 75.53 110.802 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 72.21 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 72.41 111.1 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.05 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.32 111.11 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.53 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 62.11 111.166 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 65.01 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.882 0.373 . . . . 74.23 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 70.33 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 62.15 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 72.1 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.167 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 64.41 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 75.11 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.3 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.935 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.43 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 73.51 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.35 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.139 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 75.02 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.14 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.117 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 60.41 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.41 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.864 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 53.53 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 75.4 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 53.14 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 63.2 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.04 110.97 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.15 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.94 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.201 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.932 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.35 111.1 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.52 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 72.33 111.142 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.935 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 73.43 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.877 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 73.33 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 74.4 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 54.45 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.31 111.167 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.54 110.894 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 75.43 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 51.11 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.914 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.967 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 75.15 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.891 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.05 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 70.43 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 73.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 74.32 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 75.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.3 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 74.2 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 73.1 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 64.41 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.42 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 72.42 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 71.14 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 74.04 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.949 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 44.34 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.41 110.906 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.52 111.188 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 63.42 111.084 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 74.11 111.185 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.11 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 73.03 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 73.4 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 74.34 111.137 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.41 111.137 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 73.41 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.148 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 74.04 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 74.43 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 43.35 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 73.3 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 75.33 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.97 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 72.34 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 70.23 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 74.34 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.42 110.895 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.24 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.41 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 72.35 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.34 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.172 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.887 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 75.34 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.864 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.32 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.844 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.54 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 73.3 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 60.42 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 73.1 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.907 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.15 111.166 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 63.2 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.086 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.152 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 72.15 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.51 111.131 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 73.23 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 63.41 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 62.14 110.858 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.903 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.094 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 63.04 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.53 110.935 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 75.21 110.847 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 74.3 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 73.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 74.33 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 71.32 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 71.15 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 72.15 110.993 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 75.13 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 70.02 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 72.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.33 111.092 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 60.22 111.162 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.145 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.133 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.935 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 64.35 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 62.12 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 75.13 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.967 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 74.45 111.141 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 74.01 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.12 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 64.21 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 73.14 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 72.51 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.853 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.4 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 70.2 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 74.21 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.04 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.959 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.31 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.113 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.53 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 73.31 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 75.11 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 72.4 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 63.33 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 75.33 110.841 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 75.01 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 71.14 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.01 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 73.24 111.152 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.902 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 73.42 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 74.2 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.54 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.45 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.45 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 75.15 111.144 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 73.34 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 75.53 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 73.12 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.118 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.944 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 72.13 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.008 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.44 110.888 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 63.43 110.802 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 74.21 111.104 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 73.25 111.137 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 74.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 74.03 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 54.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.14 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 75.03 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 75.54 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 74.54 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.154 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 72.45 112.467 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 74.44 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.903 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.164 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.922 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 64.25 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 63.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 72.1 111.103 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.874 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 72.52 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 73.24 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.41 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 74.14 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 74.3 110.874 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.94 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 75.12 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.14 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 64.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.909 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 73.22 110.83 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 72.41 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 72.23 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 74.32 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.858 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 73.2 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.868 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 75.34 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 72.34 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 72.11 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 74.21 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 72.03 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 63.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 74.44 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.894 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.092 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.177 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.903 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 64.11 111.131 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 62.2 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.35 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.34 111.123 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 75.02 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 65.43 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.4 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 75.3 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.33 110.785 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 74.45 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 73.03 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 54.11 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 74.41 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.35 111.127 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 71.04 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 70.44 110.835 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.896 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.34 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.114 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.908 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.971 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.876 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 73.4 110.931 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.12 111.153 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.53 111.111 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 73.44 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 72.31 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.143 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.43 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 72.02 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 64.54 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.851 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.863 0.363 . . . . 74.54 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 74.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 62.42 110.798 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.935 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.073 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.94 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 71.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 75.13 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.89 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 75.24 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.54 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 75.51 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 75.4 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 74.21 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.52 111.114 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 63.51 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 73.4 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 70.22 112.473 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 72.31 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 65.35 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.3 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.23 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.33 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.989 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.895 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.24 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.903 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.828 0.347 . . . . 75.33 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.44 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.964 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 73.44 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 75.05 110.785 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 73.34 111.068 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 71.4 110.88 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 73.02 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 64.43 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 71.23 110.95 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 74.54 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 75.32 112.474 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 72.15 110.859 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.899 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.25 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.859 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 70.44 110.94 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 71.52 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.13 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 74.54 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.911 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.962 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 52.43 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.3 111.149 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.082 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.15 111.2 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 74.0 111.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.01 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.31 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 70.11 110.897 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 52.4 112.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.41 113.98 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 71.13 111.067 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -101.52 118.22 36.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.859 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 126.26 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.093 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.09 79.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.858 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -78.46 -61.52 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 75.3 111.16 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.926 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 74.21 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 73.43 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 71.04 110.849 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.31 111.113 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.917 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 75.24 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 70.42 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.947 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.52 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 75.51 111.17 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 75.2 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.912 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 74.44 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.137 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 72.5 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 75.13 110.888 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 61.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.33 111.151 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 75.52 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 73.5 110.888 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.906 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 75.11 110.863 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 73.42 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.04 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.091 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 60.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.13 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 65.5 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 65.25 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.6 -45.4 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.2 110.854 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -32.77 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.896 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.44 -33.74 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 65.43 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.21 -28.41 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.09 -31.83 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.843 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -68.82 -40.43 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 71.2 110.923 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.0 t -59.6 -34.94 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -68.97 -43.35 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.901 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -29.78 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 74.52 110.9 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -82.68 -32.96 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.0 25.3 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.15 111.107 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -158.47 34.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.941 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -34.77 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.62 -29.99 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.119 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.37 50.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 65.15 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -146.96 56.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.112 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.12 26.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 p -67.6 129.14 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.33 111.166 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.1 -107.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 73.44 112.489 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -58.0 159.25 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 75.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.69 141.94 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 72.01 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -175.9 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 61.33 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -107.55 145.03 33.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -171.02 142.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.34 111.143 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 55.3 p -66.35 164.22 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 61.3 110.893 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -165.57 161.37 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -141.28 56.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 75.45 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.93 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 52.4 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.36 47.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 62.44 111.07 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.34 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 64.4 111.09 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 63.22 110.896 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t -82.2 -64.27 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 75.01 111.187 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.922 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 74.4 110.85 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 75.21 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.895 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.53 111.127 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 73.01 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 75.11 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 74.04 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 75.41 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 73.25 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.932 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 75.5 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.53 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 74.01 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.53 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 55.45 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 72.4 111.154 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 75.13 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 75.12 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 71.21 110.915 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.15 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 65.43 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.23 111.145 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 72.4 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 75.42 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 75.31 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.953 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.859 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.11 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.164 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 70.13 110.741 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 74.01 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.23 111.117 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.03 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.46 -34.49 72.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 71.55 110.93 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.79 -30.2 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.874 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -89.56 -29.86 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.929 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.6 -33.18 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -35.6 81.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -39.2 32.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.891 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -44.2 93.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 74.45 110.888 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -56.55 -40.39 75.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.872 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.889 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.85 69.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.01 111.128 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -72.43 -66.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 71.5 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 54.46 27.43 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.82 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 70.31 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.9 25.44 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.21 111.162 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.64 -26.01 12.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 74.41 111.101 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -109.6 70.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.865 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.7 p -56.66 152.69 11.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 72.35 111.166 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.25 147.95 18.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 75.3 112.451 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.81 140.69 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 74.2 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -67.04 160.36 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 63.12 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 p -121.76 155.01 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.806 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.57 -175.31 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.2 111.045 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.5 143.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 73.34 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 m -105.59 166.24 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.864 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -132.94 46.38 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 74.43 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.53 160.1 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.93 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.973 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 63.11 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.43 176.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 65.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -103.14 -175.91 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 75.41 110.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 -46.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m 54.39 37.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.843 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t -88.55 -62.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 75.1 111.113 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 44.14 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.13 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.23 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.2 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.41 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.31 111.094 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 74.14 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.882 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 74.42 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.53 110.785 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 74.23 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 75.23 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 63.52 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 72.4 110.941 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.94 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.41 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 64.53 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.32 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 65.24 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 65.31 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 74.05 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 73.52 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 64.3 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.23 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.33 110.948 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.23 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 51.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.2 111.107 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 73.44 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.24 111.125 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.23 111.135 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 74.23 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -78.86 -48.92 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.68 -42.13 83.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.836 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -58.19 -34.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.885 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.953 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.77 -42.54 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -27.18 44.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.93 -40.85 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.83 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -53.37 -31.88 46.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 65.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.83 20.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 63.1 110.904 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -96.9 28.73 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 71.32 110.932 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.86 26.55 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.52 111.176 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -123.13 -70.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.969 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.83 34.13 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 71.05 110.939 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -176.51 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.54 111.062 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.98 27.55 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.135 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -109.09 -28.25 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.41 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.61 -37.83 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.896 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.23 155.4 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.22 111.128 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.23 130.06 50.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 73.31 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.75 138.46 32.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 74.03 110.94 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -62.02 136.97 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 p -135.12 -176.02 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.876 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -91.81 -172.66 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -83.97 146.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 62.1 111.117 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 p -88.65 160.12 17.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.76 179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.95 167.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.874 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.959 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 73.33 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.81 -42.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 72.32 111.15 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 158.73 15.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 70.13 110.87 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.2 126.39 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.095 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.92 99.11 8.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.907 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t -82.11 -64.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.133 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.912 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.15 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 73.11 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 75.2 111.149 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.857 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 73.13 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 62.33 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 70.23 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 72.23 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 75.51 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.955 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 72.14 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 71.43 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 72.31 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.93 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 75.43 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.842 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 62.3 112.477 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 72.54 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.962 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 72.14 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.897 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 71.31 111.095 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 70.11 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.113 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 71.22 110.812 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.15 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.03 111.144 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.897 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 71.14 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -53.4 -41.37 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.35 -45.32 91.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.39 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.915 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.51 -41.2 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.31 -44.2 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -39.81 95.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.902 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -30.24 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -34.62 43.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.943 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -75.83 -28.34 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.871 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -69.27 -32.47 71.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.916 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.97 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 62.53 111.065 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -105.43 30.34 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.933 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -28.59 69.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.878 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.78 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.099 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -111.87 59.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.071 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.65 64.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.82 42.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.34 110.851 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.59 176.71 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.15 139.34 40.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 64.53 112.451 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -135.09 -175.06 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 75.42 110.866 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -139.67 124.01 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.904 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.17 165.42 35.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.31 110.788 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.0 129.81 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 71.25 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.55 117.57 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.4 111.119 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.39 153.89 42.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 64.03 110.861 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -84.14 171.85 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.12 110.851 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -119.39 167.59 11.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 73.03 110.91 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.448 -0.261 . . . . 73.24 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.59 25.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 74.11 111.174 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -124.29 -61.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.85 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.96 102.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 75.2 111.089 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.04 98.89 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 74.13 110.913 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.47 -65.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 62.03 111.087 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.899 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.25 110.86 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.15 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.54 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.88 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 74.5 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 74.44 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 72.42 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 64.2 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.868 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.856 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 64.0 110.773 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 74.21 111.197 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 72.1 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 75.14 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 75.1 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 72.11 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 75.21 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 75.22 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.15 110.947 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.124 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 75.23 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.05 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 75.51 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.41 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.44 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.31 110.945 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.54 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.142 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.123 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.958 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 73.54 111.153 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 65.51 111.122 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 64.52 111.166 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 75.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.093 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 73.15 110.895 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.85 -46.15 46.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.923 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.56 -26.46 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -70.99 -30.67 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.855 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -94.39 -26.73 16.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.959 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.56 -44.28 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.84 -32.18 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.872 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -39.46 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.855 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.883 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.54 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 75.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.34 28.46 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.931 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -141.13 33.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 111.071 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 27.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.96 -37.01 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.846 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.26 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 65.1 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.51 76.87 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 54.02 111.099 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.89 -50.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 63.23 111.082 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.84 90.93 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.12 179.37 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 54.33 111.148 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.07 -23.0 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 74.01 112.526 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 179.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 74.34 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.77 108.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.12 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 176.59 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 70.53 110.793 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.93 154.22 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.935 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.42 137.56 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.074 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 p -157.49 152.47 25.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 73.41 110.786 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -53.28 153.76 3.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.926 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -62.1 147.26 48.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 72.22 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.954 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 52.4 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.92 118.98 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 75.54 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -123.71 77.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 64.2 110.836 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.81 100.12 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 71.1 111.119 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.95 112.75 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.867 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.04 -64.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.879 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 62.12 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 62.14 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 63.03 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.96 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.41 110.999 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 73.34 111.105 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.41 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 74.42 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.33 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 71.31 111.064 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 75.42 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 71.31 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 62.04 110.925 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 62.44 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.941 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 63.03 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.32 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 61.4 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 74.45 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.135 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 53.2 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 75.11 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.938 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 75.41 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.871 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.913 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.05 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.916 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 64.43 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 74.22 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 74.2 111.073 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.964 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.42 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 70.51 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.42 111.148 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.095 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.934 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.42 -45.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.931 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -43.67 98.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.924 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.62 -45.95 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 64.12 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -40.1 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.878 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -55.71 -33.68 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.851 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.801 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -53.33 -44.14 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.815 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.92 -44.64 96.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.31 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -26.39 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.882 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -26.41 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.884 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.03 33.84 3.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.45 111.147 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.51 -28.32 60.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.35 -32.89 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.924 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.61 -26.09 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 71.02 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.23 44.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.32 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -177.75 -170.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.082 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.8 t70 63.11 29.8 16.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 60.01 110.854 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -127.44 150.47 49.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.32 111.175 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.52 128.48 32.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 74.55 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -119.25 173.79 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 73.31 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.63 158.19 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.859 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -86.44 176.67 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 168.63 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.931 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.9 p -110.77 132.8 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.143 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 156.79 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.912 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -90.7 148.39 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 70.32 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -173.87 128.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.85 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.9 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 72.13 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.34 132.62 56.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 62.01 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -152.11 56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.33 176.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.09 164.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.891 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.4 t -91.18 -62.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.01 111.133 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.15 110.905 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 74.43 111.136 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 75.01 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 61.23 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.3 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 75.23 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 74.25 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 73.1 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 54.41 110.94 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 50.23 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.193 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 50.3 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.35 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.11 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 74.15 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.905 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 70.44 110.86 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.936 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 75.51 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.936 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.54 110.955 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 52.34 111.165 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.044 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 75.34 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 73.2 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 74.41 111.121 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 63.13 111.149 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.963 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 71.44 111.159 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -37.27 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 73.42 110.889 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.21 -48.09 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -35.35 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.838 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -74.35 -49.54 22.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 75.53 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.76 -26.6 57.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 72.45 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -30.48 49.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.904 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.819 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -81.88 -32.16 31.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 75.5 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -76.22 -50.3 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.904 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -57.48 -30.61 65.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.921 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.03 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 70.52 111.047 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -74.78 -67.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.13 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.64 27.82 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.912 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -172.1 -40.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.13 111.094 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.08 25.53 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -107.16 26.17 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 62.02 111.07 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -102.84 32.87 3.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 75.15 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.0 p -92.12 170.79 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 71.21 111.059 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.63 117.22 8.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 64.43 112.473 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.04 164.49 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 74.42 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.77 177.27 4.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.41 174.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.929 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -169.02 176.01 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.55 133.59 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.21 108.01 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.871 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.99 111.12 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -70.92 141.62 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 71.12 110.845 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.548 -0.221 . . . . 75.23 112.548 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.61 40.59 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.22 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -93.51 104.28 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.11 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.089 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -162.62 152.36 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 60.13 110.828 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.1 t -82.99 -64.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 72.05 111.063 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.894 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.45 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.102 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.905 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 74.31 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 63.45 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 75.22 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 63.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.961 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.5 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.2 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 74.32 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.01 111.185 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 71.33 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 74.13 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 71.11 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 65.13 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.11 111.196 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.53 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 65.45 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 65.5 110.923 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.467 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 74.41 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.98 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 75.32 112.533 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 70.22 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 72.32 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.25 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 75.54 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.136 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.918 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 73.34 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 64.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.44 111.071 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 65.41 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.53 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.32 110.903 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.22 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.09 -30.47 70.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.26 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.82 -38.32 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.914 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.92 99.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.942 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -69.34 -28.14 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.896 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -77.78 -30.16 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 64.24 110.916 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -38.8 33.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 43.31 110.852 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -60.27 -35.07 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -58.2 -30.25 66.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.94 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -26.68 37.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.879 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.04 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.34 111.112 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -154.2 28.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.53 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.41 -35.37 14.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.884 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.53 -26.44 64.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 74.55 111.097 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.17 52.78 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.04 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.09 27.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.43 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -90.12 -36.94 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.7 p -71.77 151.76 43.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 61.44 111.187 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.63 -167.63 18.93 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 40.41 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -157.09 159.9 38.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 71.23 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.38 133.47 33.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.25 166.58 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 72.55 110.886 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -74.63 135.35 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.32 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.89 139.65 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.55 111.131 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 172.35 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.14 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -86.19 -179.9 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.32 110.874 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.839 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 61.32 110.953 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 63.55 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.59 67.38 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 52.42 111.055 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 53.49 62.94 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.887 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.1 -176.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 70.22 111.127 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.875 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -100.01 -71.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 74.02 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 75.42 110.883 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.53 111.157 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 74.13 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 72.22 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 71.0 110.857 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 63.2 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.936 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 71.32 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 72.21 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.944 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.127 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 72.2 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 74.33 110.939 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 73.05 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.55 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 75.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 70.41 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 75.21 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 74.31 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 61.03 112.476 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 65.12 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 70.02 110.943 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 61.52 111.156 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.2 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.123 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.982 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 65.33 111.135 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 75.05 110.83 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 73.42 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.42 111.137 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.4 111.13 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.078 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 74.4 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.55 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.11 -40.91 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 71.14 110.861 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.94 -44.59 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.41 -34.17 77.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.31 -54.82 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 75.24 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -56.03 -39.18 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -58.65 -34.28 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 m -69.64 -38.85 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.85 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.39 88.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.55 -45.48 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.5 110.915 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -31.6 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.873 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.92 32.97 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 72.14 111.074 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -151.04 30.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 74.02 110.895 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -35.45 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.907 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.59 28.73 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.41 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.51 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 73.01 111.108 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.11 -46.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 60.21 111.128 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -46.19 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.812 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.45 -179.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.188 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.61 54.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 64.2 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -91.88 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.336 . . . . 72.33 110.907 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -54.23 164.43 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.837 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.46 142.86 30.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.43 145.35 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.03 110.919 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -100.56 143.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 75.22 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 p -146.22 121.38 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.778 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -139.23 -178.62 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -150.01 120.23 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.45 110.904 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.885 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.537 -0.225 . . . . 75.22 112.537 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.88 179.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 64.21 111.075 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -90.04 57.11 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.874 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.87 37.18 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 71.11 111.1 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -114.47 170.9 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.881 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.2 t -95.79 -71.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 74.13 111.117 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 75.54 110.938 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.892 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.22 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 70.33 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 74.22 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.924 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 54.43 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.959 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 75.12 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 71.41 110.945 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 63.34 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.34 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 74.25 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 73.15 111.142 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 64.35 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 61.44 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 75.1 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 74.52 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 71.22 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 74.11 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 72.14 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.909 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.53 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 61.13 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.24 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 75.55 111.148 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.968 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.45 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 75.53 110.802 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 72.21 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 72.41 111.1 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.05 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 61.32 111.11 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.53 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 62.11 111.166 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 65.01 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.84 -27.17 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.06 -26.69 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.873 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.31 -40.2 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -55.03 -32.6 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.86 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.38 -39.55 76.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -56.55 -28.89 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -29.06 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 73.51 110.901 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -72.09 -29.26 63.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.25 110.832 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.55 110.869 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -63.97 -28.39 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.883 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.79 31.34 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 71.1 111.141 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.07 29.72 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.913 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.1 -48.99 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.095 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.84 65.15 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 53.44 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.86 -42.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.55 111.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.45 68.45 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.884 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.63 173.39 12.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.138 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.35 172.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.477 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.75 154.61 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.309 . . . . 74.53 110.908 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -94.41 158.97 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.9 t -95.87 148.98 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.864 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -72.5 178.66 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 74.11 110.944 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.23 160.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.44 111.171 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.29 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.865 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.37 -172.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.9 179.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 64.31 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.921 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.541 -0.224 . . . . 72.13 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.58 164.43 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 65.23 111.115 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.7 -171.77 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.845 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.84 96.84 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 72.03 111.103 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -104.57 85.45 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 63.53 110.851 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -78.98 -61.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.23 111.189 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 70.33 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 62.15 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 72.1 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.45 111.167 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.11 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 64.41 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 75.11 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.3 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.01 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.935 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.43 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 73.51 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.35 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.43 111.139 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 75.02 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.14 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.117 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 60.41 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.41 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.23 110.864 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 53.53 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 75.4 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 74.42 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 53.14 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 63.2 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.04 110.97 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.15 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.94 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.201 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.932 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.35 111.1 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.52 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 72.33 111.142 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.86 -49.32 59.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 72.11 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.6 -26.47 68.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 75.41 110.901 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.61 -27.36 41.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.842 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -84.4 -30.14 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 74.5 110.923 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.85 -34.65 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 72.22 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -54.29 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -26.81 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.799 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -27.92 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -87.06 -37.98 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.953 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 64.11 110.952 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.34 -25.29 67.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 61.42 111.077 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.4 36.14 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -84.23 -27.36 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.917 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.79 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 74.52 111.126 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.23 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.091 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 28.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 54.42 111.176 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.44 32.67 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 p -94.85 179.35 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.52 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.89 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.82 -0.705 . . . . 71.03 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.52 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 74.12 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -75.33 166.65 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 55.41 110.921 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.8 p -121.74 79.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.811 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 154.41 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.883 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.76 171.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 72.54 111.183 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.75 176.13 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 71.15 110.806 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 168.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 72.42 110.896 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -82.97 -176.21 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.947 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.504 -0.239 . . . . 52.4 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.62 176.83 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 73.21 111.077 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -128.14 113.39 15.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.864 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.26 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.43 111.133 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -104.21 99.36 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.41 -44.93 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.43 111.147 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.877 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 71.33 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 73.33 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 74.4 110.955 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 54.45 110.893 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.31 111.167 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.54 110.894 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 75.43 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 51.11 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.914 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.967 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 75.15 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.891 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 74.05 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 70.43 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 73.44 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 74.32 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 75.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 74.3 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 74.2 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 73.1 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 64.41 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.42 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 72.42 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 71.14 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 74.04 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.949 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 44.34 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 71.41 110.906 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.52 111.188 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 63.42 111.084 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 74.11 111.185 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.11 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 73.03 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 73.4 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 74.34 111.137 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 70.41 111.137 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 73.41 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.148 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 74.04 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.48 -30.03 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -55.13 5.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.876 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.14 -37.82 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -71.25 -47.38 57.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -58.15 -33.31 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.88 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.99 -51.55 61.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.846 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.93 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.88 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -58.52 -44.39 89.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.986 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -28.11 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 73.34 110.884 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -100.04 33.13 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -140.27 28.23 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.31 111.15 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -36.85 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.911 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.0 -51.61 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.51 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.44 -56.31 13.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 62.33 111.113 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.02 79.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.1 111.087 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.53 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.126 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -100.14 70.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 75.22 110.852 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -113.69 86.1 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.51 111.125 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.46 131.01 10.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 74.24 112.507 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -104.48 169.51 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 73.34 110.948 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -124.61 159.28 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.922 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 81.8 p -141.61 177.64 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -80.6 -176.62 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 64.33 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.05 120.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.106 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.75 105.16 15.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 51.14 110.847 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -170.38 162.38 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.872 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -57.78 164.35 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 64.35 110.878 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.535 -0.226 . . . . 52.4 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.69 42.75 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 72.32 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -115.33 147.07 40.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.843 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.7 50.05 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.059 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -121.01 67.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 70.21 110.868 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.93 -61.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 74.43 111.179 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 43.35 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 73.3 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 75.33 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.97 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 72.34 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 70.23 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 74.34 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.42 110.895 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.24 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 72.41 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 72.35 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.34 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.172 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.887 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 75.34 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.12 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.864 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.32 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.844 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.54 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 73.3 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 60.42 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 73.1 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.907 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.15 111.166 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 63.2 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.086 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.152 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 72.15 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 72.51 111.131 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -36.32 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.19 -32.78 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 73.4 110.912 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.8 -43.43 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -67.21 -41.43 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -55.38 -54.35 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.884 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -55.33 -34.63 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.958 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 t -71.7 -26.65 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -83.29 -26.06 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.951 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 -42.12 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.876 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -52.06 -31.72 31.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.938 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.15 -30.63 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 70.21 111.075 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.98 34.69 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 75.35 110.951 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.71 -29.86 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.164 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.57 51.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 72.32 111.079 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.73 59.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 71.12 111.127 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.56 -68.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.15 110.884 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.33 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.194 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.36 106.1 3.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 72.45 112.503 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.1 157.41 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 72.34 110.875 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -56.46 123.28 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.894 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -145.74 129.18 16.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.51 146.91 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.8 m -145.26 168.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.22 111.137 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.37 146.66 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 70.33 110.867 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 95.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 75.1 110.889 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -154.9 114.39 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.933 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.5 -0.24 . . . . 52.4 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.38 174.34 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 74.31 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -70.7 156.01 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.91 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.17 157.41 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 169.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 70.11 110.873 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.17 -68.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 73.23 111.135 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.904 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 63.41 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 73.34 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 62.14 110.858 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.903 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 73.34 111.094 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 63.04 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.53 110.935 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 75.21 110.847 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 74.32 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 74.3 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 73.44 110.919 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.933 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 74.33 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 71.32 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 5.7 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 71.15 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 72.15 110.993 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 75.13 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 70.02 110.922 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 72.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 65.33 111.092 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 60.22 111.162 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.145 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.133 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.935 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 64.35 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 62.12 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.25 -39.77 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.46 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.889 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.28 -45.69 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 75.43 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -73.77 -29.81 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.895 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.49 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -49.69 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.928 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -30.62 61.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 75.52 110.897 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -37.93 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.33 110.905 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.49 -35.53 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.859 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.14 69.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.086 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -121.86 36.13 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.976 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.87 -32.6 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.37 -36.56 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 70.03 111.102 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.32 65.86 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 71.42 111.138 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.8 -52.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 65.02 111.097 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.7 -28.37 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.11 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -32.86 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 71.41 111.13 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.7 -145.47 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 73.4 112.501 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -161.58 51.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.333 . . . . 75.23 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -142.49 86.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 63.55 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 p -154.78 89.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 74.13 110.83 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -76.74 176.27 8.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 39.4 t -100.43 92.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.31 104.52 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -169.07 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 75.22 110.922 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -72.37 145.31 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.51 110.847 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 75.11 110.937 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.448 -0.261 . . . . 71.54 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.44 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 71.34 111.171 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -49.38 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 74.34 110.847 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.91 -177.98 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.05 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.85 152.09 24.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 60.42 110.845 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.03 -63.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.967 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 74.45 111.141 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.868 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 74.01 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 73.12 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 64.21 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 73.14 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 72.51 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.853 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.4 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 70.2 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 74.21 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.04 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.959 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 72.31 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.113 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.53 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 74.1 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.04 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 73.31 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 75.11 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 74.44 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 72.4 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 63.33 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 75.33 110.841 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 75.01 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 71.14 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.01 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 73.24 111.152 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 72.33 111.119 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 74.13 110.902 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 73.42 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 74.2 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.54 111.162 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.45 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.45 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 75.15 111.144 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.42 -47.06 82.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.84 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.95 -30.12 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 74.24 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -44.09 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.48 -45.38 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.868 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -59.36 -27.24 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 t -79.22 -39.15 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.5 110.874 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -45.6 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 74.53 110.883 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -32.77 72.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -26.41 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.93 31.07 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.25 111.041 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.54 26.28 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 72.44 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -87.94 -33.78 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.0 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 70.12 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.67 80.7 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.25 111.06 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.01 -51.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.096 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.18 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.35 110.939 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.3 p -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.08 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.62 158.49 4.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 73.42 112.508 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.19 162.73 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 71.33 110.89 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.71 165.2 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.877 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 136.04 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.55 129.34 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 74.23 110.95 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.0 m -89.5 144.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 63.31 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.67 146.11 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.799 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 175.62 8.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 75.13 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.8 89.83 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.937 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.951 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.439 -0.265 . . . . 53.43 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.61 168.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.712 0.292 . . . . 74.14 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 57.13 71.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 72.55 110.875 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.42 64.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -65.28 143.24 57.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t -111.96 -68.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 75.53 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 73.12 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.41 111.118 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.24 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.944 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 72.13 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.31 111.008 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.44 110.888 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 63.43 110.802 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 74.21 111.104 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 73.25 111.137 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 74.43 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 74.03 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 54.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 62.21 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.42 111.14 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 75.03 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 75.54 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 74.54 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.02 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 74.2 111.154 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 72.45 112.467 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 74.44 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.903 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.894 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.164 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.922 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 64.25 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 63.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 72.1 111.103 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 75.01 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.874 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 72.52 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 73.24 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.41 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.39 -31.75 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -75.53 -30.06 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.871 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.82 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.849 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -90.3 -26.54 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.96 -34.62 75.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -75.48 -26.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.83 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -80.15 -29.52 38.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.883 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -43.08 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.891 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.83 26.31 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.926 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -171.35 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.45 111.108 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.03 28.53 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.992 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.43 27.17 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 72.32 110.959 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -146.75 29.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.12 111.056 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -158.55 26.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.88 27.44 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 61.01 111.067 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -128.49 -48.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.836 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.4 p -73.38 172.11 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.15 111.136 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.79 132.3 11.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 70.42 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -168.29 138.13 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 73.14 110.892 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -70.82 159.29 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 61.31 110.873 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.8 m -117.04 -175.42 2.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 72.12 110.85 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -157.74 139.14 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.964 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -103.08 173.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 72.51 111.168 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 168.06 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.876 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 164.33 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -97.44 -26.91 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.87 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 75.25 110.931 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 53.5 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.85 67.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.739 0.304 . . . . 65.32 111.138 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 58.99 86.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.1 167.92 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 55.53 111.082 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 145.26 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.849 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.57 -61.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.149 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 74.3 110.874 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.94 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 75.12 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.14 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 64.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 64.51 110.909 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 73.22 110.83 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 72.41 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 72.23 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 74.32 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.858 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.21 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 63.44 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 73.2 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.868 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 75.34 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 72.34 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 72.11 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 74.21 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.33 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 72.03 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 63.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 74.44 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.894 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.092 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.177 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.13 110.903 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 65.14 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 64.11 111.131 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 62.2 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 71.1 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.35 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.34 111.123 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.06 -35.53 73.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.12 -46.84 31.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.84 -34.33 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.32 -29.78 66.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -53.52 -33.41 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.948 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -30.63 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.913 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.77 -31.22 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.845 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -62.45 -31.65 72.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -96.43 28.14 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.896 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.26 27.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.917 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.45 26.74 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.144 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.06 43.13 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 75.11 110.878 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -125.59 -58.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.08 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 52.14 111.072 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.65 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.13 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.95 -35.43 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.02 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.95 26.32 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.3 -170.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 72.25 111.199 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.76 -81.8 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.768 -0.73 . . . . 62.25 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -130.43 131.51 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 74.11 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.24 161.44 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 73.5 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.35 101.0 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -118.51 160.66 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 73.34 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -57.63 164.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 62.42 111.113 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 t -103.62 -176.97 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 61.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.21 167.26 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 74.31 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.85 93.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 72.4 110.834 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.127 -0.488 . . . . 74.25 110.911 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 61.25 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.36 -45.69 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 73.31 111.062 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -96.74 -176.59 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.74 82.14 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 61.31 111.081 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.68 158.77 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.833 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.71 -67.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 75.02 111.139 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 65.43 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 75.4 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 74.12 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 75.3 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.33 110.785 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 74.45 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 73.03 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 54.11 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 74.41 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.35 111.127 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 71.04 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 70.44 110.835 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.896 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.34 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.114 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.908 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.971 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.876 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 73.4 110.931 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.12 111.153 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 74.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.53 111.111 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 73.44 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 72.31 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.143 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.43 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 72.02 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 64.54 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.22 -47.08 46.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.851 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.0 -38.75 83.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.95 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -31.07 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.94 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.86 -27.66 49.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.5 110.849 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -46.66 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 60.11 110.897 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.0 -39.78 82.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.847 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.7 -28.68 70.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.4 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -43.57 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 75.51 110.895 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -27.98 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.846 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -71.62 -28.72 63.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 72.45 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -106.2 35.44 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.094 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.24 30.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.45 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -66.3 -33.57 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 74.35 110.932 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.3 77.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 74.54 111.129 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.06 47.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 73.35 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.52 30.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -142.77 54.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 70.02 110.801 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.8 p -56.11 114.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.42 111.176 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.75 83.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.832 -0.699 . . . . 73.13 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.68 167.93 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 73.44 110.86 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.89 118.59 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.88 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.55 -178.73 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 65.33 110.854 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.88 126.18 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.907 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.92 148.44 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 75.5 111.157 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.6 p -104.46 123.77 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 71.32 110.812 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 49.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 73.5 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -161.24 155.59 22.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.927 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.527 -0.229 . . . . 52.4 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.46 135.69 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 74.34 111.098 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -60.63 107.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.83 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.74 68.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -98.11 121.61 40.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.79 -71.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.54 111.104 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 74.0 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 62.42 110.798 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.33 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.935 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.073 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.94 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 71.0 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 75.13 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.89 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 75.24 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.54 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 75.51 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 75.4 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 74.21 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.52 111.114 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 74.34 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 63.51 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 73.4 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 70.22 112.473 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 72.31 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 65.35 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.913 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.3 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.03 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.23 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.33 111.138 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 72.25 110.989 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.895 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.24 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.903 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 72.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.63 -36.42 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -28.28 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 65.04 110.841 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -80.8 -27.03 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -53.38 -31.67 45.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.918 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.28 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.869 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -61.43 -31.27 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.34 110.817 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -75.45 -39.93 58.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.88 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 72.5 110.884 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -26.94 30.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 75.2 110.941 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -102.74 29.88 5.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 70.41 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.49 45.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 65.43 110.878 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -101.66 -27.56 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.861 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.42 26.19 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 74.52 111.151 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.28 25.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.14 111.05 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -131.94 38.1 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 74.44 111.105 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -161.53 -41.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.828 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.1 p 51.33 -170.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.137 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.79 9.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 75.22 112.476 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -52.54 108.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 72.14 110.877 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.37 133.97 52.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.897 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.8 p -164.67 -179.06 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 71.03 110.902 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -88.72 98.38 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.05 110.878 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.4 104.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.149 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 t -121.19 146.24 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -65.06 154.69 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.947 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.67 -177.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 75.15 110.973 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.545 -0.222 . . . . 62.54 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.98 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 65.12 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.13 89.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.849 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.64 125.17 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.53 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.32 163.49 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.884 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t -105.08 -55.21 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 75.33 111.165 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.44 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.43 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.964 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 73.44 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 75.05 110.785 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 73.34 111.068 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.13 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 71.4 110.88 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 73.02 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 64.43 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 71.23 110.95 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 74.54 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 75.32 112.474 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 72.15 110.859 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.899 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.25 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 75.24 110.859 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 70.44 110.94 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 71.52 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.13 112.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 74.54 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.911 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.962 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 52.43 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.3 111.149 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.082 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.15 111.2 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 74.0 111.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.01 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.31 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 70.11 110.897 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -37.11 85.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.21 -46.22 88.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.21 -47.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.93 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -54.35 -46.49 72.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.866 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.03 -48.39 67.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.914 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -40.41 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -55.41 -28.23 52.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -84.3 -28.39 27.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 72.53 110.915 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 40.12 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.48 30.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.22 111.055 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -139.99 32.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.79 -35.98 77.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.34 26.25 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 60.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.75 34.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.5 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -145.42 26.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.099 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -106.61 29.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 74.14 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.8 p -103.01 166.74 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.153 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -83.26 75.34 2.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.469 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.4 31.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 72.32 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.1 -176.06 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 72.41 110.883 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.7 p -155.1 131.17 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 63.2 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.53 91.36 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 74.05 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.2 96.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 73.41 111.163 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 105.99 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -145.93 129.19 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.89 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.37 163.09 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.887 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 75.42 111.01 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.898 0.38 . . . . 75.3 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 85' ' ' LEU . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.54 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.22 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 44.33 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 62.33 110.849 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 65.14 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.587 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.44 111.113 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 74.51 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 62.43 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.947 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 34' ' ' ILE . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 74.43 111.17 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 60.41 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 51' ' ' LEU . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 65.33 110.912 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 73.31 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG13 HD12 ' A' ' 50' ' ' LEU . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 62.32 111.137 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 64.45 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.451 HD21 HD11 ' A' ' 41' ' ' LEU . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.41 110.888 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 52.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.626 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 65.52 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 75' ' ' LEU . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 61.5 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.549 ' CB ' HD21 ' A' ' 75' ' ' LEU . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 54.12 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 54.21 110.906 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 61.1 110.863 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 43.34 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 78' ' ' LEU . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 88' ' ' VAL . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' HD21 ' A' ' 8' ' ' LEU . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 55.1 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 61.01 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 61.21 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 100' ' ' ALA . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 53.35 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.32 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 61.41 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.854 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 74.01 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.64 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 72.02 110.85 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.665 ' HB2' HD13 ' A' ' 8' ' ' LEU . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.895 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.659 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.34 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 63.33 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 71.4 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 64.22 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 64.21 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.585 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 60.15 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.686 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 63.45 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.609 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 62.44 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.44 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 63.13 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 51' ' ' LEU . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.901 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.24 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 52.44 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.679 HG13 HD12 ' A' ' 50' ' ' LEU . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 53.41 111.154 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 74.11 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 61.32 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 65.01 110.915 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 41' ' ' LEU . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 43.55 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 43.21 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 52.53 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.742 HD22 ' HG ' ' A' ' 75' ' ' LEU . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 73.13 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 61.33 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HD22 ' A' ' 64' ' ' LEU . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CD2' HD21 ' A' ' 101' ' ' LEU . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.506 ' CG ' HG21 ' A' ' 97' ' ' THR . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 70.31 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.968 HD11 HD12 ' A' ' 78' ' ' LEU . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 25.14 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 88' ' ' VAL . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 51' ' ' LEU . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 84' ' ' VAL . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 43.14 111.164 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' HE1' HD23 ' A' ' 8' ' ' LEU . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 63.43 110.741 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 71.54 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.506 HG21 ' CG ' ' A' ' 80' ' ' ASN . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.923 0.392 . . . . 74.3 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.695 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.11 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.894 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.094 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 71.13 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.646 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 71.41 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.11 110.785 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 51.25 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.617 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 51' ' ' LEU . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.3 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 50' ' ' LEU . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 60.42 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 24.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 46' ' ' VAL . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 64.14 110.941 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 41' ' ' LEU . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.94 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 55.34 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.22 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.649 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 41.34 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' A' ' 75' ' ' LEU . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.906 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 54.42 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 70.34 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.474 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.2 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.1 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 78' ' ' LEU . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.741 HD13 ' HA2' ' A' ' 71' ' ' GLY . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 73.45 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.677 ' OD1' HG21 ' A' ' 97' ' ' THR . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.929 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 50.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 60.45 111.139 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.406 ' HE1' HD23 ' A' ' 8' ' ' LEU . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 42.25 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.776 HG22 HG13 ' A' ' 94' ' ' VAL . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.125 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.776 HG13 HG22 ' A' ' 92' ' ' ILE . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.677 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 53.24 111.135 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 51.05 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.885 0.374 . . . . 53.52 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.912 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 53.25 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 64.23 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.43 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.694 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.45 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.857 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 72.21 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 33.2 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 34' ' ' ILE . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.66 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 64.21 110.884 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 31' ' ' LEU . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 63.3 111.096 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 64.03 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.11 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 51' ' ' LEU . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.675 HG13 HD12 ' A' ' 50' ' ' LEU . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 61.54 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 61.12 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 HG13 ' A' ' 46' ' ' VAL . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 71.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 41' ' ' LEU . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.93 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.42 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 82' ' ' ILE . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 64.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.477 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 71.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD22 ' HA3' ' A' ' 71' ' ' GLY . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 62.05 110.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 70.31 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 62.35 111.095 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 42.21 111.113 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HE1' HD23 ' A' ' 8' ' ' LEU . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 63.41 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.03 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 51.55 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 52.23 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 98' ' ' LYS . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.23 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 62.03 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' TRP . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.1 110.86 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 19' ' ' ILE . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.687 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 51.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 53.52 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 71.41 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 53.4 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.21 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 44.55 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.868 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 34' ' ' ILE . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 60.44 110.773 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 31' ' ' LEU . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 72.24 111.197 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 44.15 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.13 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 51' ' ' LEU . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 65.23 111.124 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 53.43 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 61.53 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 46' ' ' VAL . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 41' ' ' LEU . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.1 110.947 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 65.32 111.124 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 70.43 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 62.52 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.34 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.24 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.21 110.945 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.56 ' CB ' HG21 ' A' ' 97' ' ' THR . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 54.34 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 78' ' ' LEU . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.24 111.142 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 88' ' ' VAL . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 45.53 110.958 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 84' ' ' VAL . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.153 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.648 HG22 HG13 ' A' ' 94' ' ' VAL . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.54 111.122 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.911 HG21 ' HB2' ' A' ' 100' ' ' ALA . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 80' ' ' ASN . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.166 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 53.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 51.4 111.093 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.35 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.11 110.923 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.872 0.368 . . . . 73.53 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 12' ' ' GLU . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 52.03 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 53.53 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 60.44 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 19' ' ' ILE . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.999 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 63.13 111.105 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.32 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 72.12 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 73.14 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.4 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.653 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 8' ' ' LEU . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 64.04 111.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 72.22 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 52.22 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG2' HD21 ' A' ' 78' ' ' LEU . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 55.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 43.42 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG13 HD12 ' A' ' 50' ' ' LEU . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 HG13 ' A' ' 46' ' ' VAL . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 41' ' ' LEU . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 65.3 110.941 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 62.44 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 60.03 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 63.23 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 82' ' ' ILE . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.43 111.135 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 43.13 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 62.4 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.938 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 71.33 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 54.33 110.871 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.913 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.35 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 51.31 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.916 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.928 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.547 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.32 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' HH2' ' A' ' 16' ' ' TRP . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.928 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 53.24 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 88' ' ' VAL . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 55.11 111.073 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 8' ' ' LEU . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 70.35 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 84' ' ' VAL . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.03 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.148 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 51.1 111.095 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.547 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 63.03 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.931 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 85' ' ' LEU . 60.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 74.01 111.133 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 12' ' ' GLU . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.431 ' HB2' HD13 ' A' ' 8' ' ' LEU . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 ' CG1' ' A' ' 84' ' ' VAL . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.42 111.136 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 29' ' ' TYR . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 74.44 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 51.34 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.23 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 34' ' ' ILE . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 52.31 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 31' ' ' LEU . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 73.2 111.163 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 65.4 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 53.23 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 51' ' ' LEU . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 52.24 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 43.42 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 50' ' ' LEU . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 64.31 111.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 34.33 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 HG13 ' A' ' 46' ' ' VAL . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 41' ' ' LEU . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.823 HG21 HD13 ' A' ' 82' ' ' ILE . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.136 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 104' ' ' ILE . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 35.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.25 110.86 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.68 HD11 ' CD2' ' A' ' 79' ' ' TYR . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 54.11 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.43 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.54 110.936 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' CZ3' ' A' ' 36' ' ' TRP . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.68 ' CD2' HD11 ' A' ' 68' ' ' LEU . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.823 HD13 HG21 ' A' ' 60' ' ' ILE . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' ' 61' ' ' LEU . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 42.04 111.165 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.044 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 ' CG1' ' A' ' 7' ' ' VAL . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.92 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 62.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 71.31 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 100' ' ' ALA . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 72.15 111.121 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 101' ' ' LEU . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.822 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 42.42 111.149 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.906 HD11 HG22 ' A' ' 97' ' ' THR . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.963 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.498 HD13 HD13 ' A' ' 61' ' ' LEU . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.02 111.159 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 53.23 110.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 85' ' ' LEU . 93.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 45.3 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 12' ' ' GLU . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.731 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 19' ' ' ILE . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 16' ' ' TRP . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.102 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 33' ' ' HIS . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 51.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 73.33 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.32 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.801 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.43 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 44.3 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.961 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 60.03 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 51' ' ' LEU . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.04 111.185 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 54.53 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 53.23 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 46' ' ' VAL . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD11 HD12 ' A' ' 41' ' ' LEU . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 71.52 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 61.13 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 62.11 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.196 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.2 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 63.4 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.923 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 71.22 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.759 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.98 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 60.05 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.533 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 60.34 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 63.54 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 64.21 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.414 HG23 ' HH2' ' A' ' 16' ' ' TRP . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 72.24 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 78' ' ' LEU . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.801 HG21 ' CE2' ' A' ' 29' ' ' TYR . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.918 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.561 HG11 ' HB3' ' A' ' 12' ' ' GLU . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HE1' HD23 ' A' ' 8' ' ' LEU . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 54.54 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.071 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 64.25 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.43 111.128 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' N ' HG23 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 62.12 110.903 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 70.3 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.907 0.384 . . . . 64.53 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 12' ' ' GLU . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 71.33 110.883 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.157 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 33' ' ' HIS . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 65.15 110.919 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 53.03 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.857 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 62.41 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 84' ' ' VAL . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 54.02 110.936 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HD12 ' A' ' 8' ' ' LEU . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 45.43 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 53.34 110.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 55.22 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 HD12 ' A' ' 50' ' ' LEU . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.127 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 64.34 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 60' ' ' ILE . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 73.32 110.939 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 85' ' ' LEU . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.94 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 63.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 61.11 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 60.2 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.609 HD22 ' HG ' ' A' ' 75' ' ' LEU . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 68' ' ' LEU . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 55.22 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 71.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 65' ' ' GLN . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 54.12 112.476 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 51.54 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.943 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.48 ' CG ' HG21 ' A' ' 97' ' ' THR . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.915 HD11 HD12 ' A' ' 78' ' ' LEU . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 54.31 111.156 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 88' ' ' VAL . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.123 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 51' ' ' LEU . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.982 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 44.34 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' HD23 ' A' ' 8' ' ' LEU . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 72.44 110.83 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 54.31 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.614 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.137 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 80' ' ' ASN . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 70.25 111.13 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 54.54 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.931 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.078 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 65.42 110.881 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.52 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 61.35 110.861 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 34' ' ' ILE . 66.2 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 64.34 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 12' ' ' GLU . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.938 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 61.31 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CZ3' HD12 ' A' ' 85' ' ' LEU . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.892 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.723 HG21 ' CG1' ' A' ' 84' ' ' VAL . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 54.11 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 29' ' ' TYR . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 62.23 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 72.34 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 65.15 110.924 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.54 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.553 HG23 HG11 ' A' ' 7' ' ' VAL . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 50.31 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.607 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 54.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 46' ' ' VAL . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 61.22 110.945 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.15 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.24 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.644 HG13 HD12 ' A' ' 50' ' ' LEU . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 72.14 111.142 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 54.31 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 44.03 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 21.12 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 85' ' ' LEU . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 50' ' ' LEU . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' HG ' ' A' ' 75' ' ' LEU . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 72.24 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.03 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 64.42 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 55.42 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HG ' HD22 ' A' ' 64' ' ' LEU . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 43.14 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.874 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.11 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 78' ' ' LEU . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.723 ' CG1' HG21 ' A' ' 19' ' ' ILE . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.148 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.968 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 84' ' ' VAL . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 8' ' ' LEU . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 64.01 110.802 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 64.24 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.59 HG22 HG13 ' A' ' 94' ' ' VAL . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.1 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 42.34 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 43.45 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 61.55 111.166 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.41 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.882 0.373 . . . . 74.23 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 53.24 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 71.22 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.705 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.01 111.167 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 33' ' ' HIS . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 63.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 72.42 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.22 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 52.33 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.935 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 55.13 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.42 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.662 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.04 111.139 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 63.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.662 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 85' ' ' LEU . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 62.35 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.01 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' LEU . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.117 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 53.4 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.21 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 63.34 110.864 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 51.03 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 44.11 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 54.33 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 54.41 110.97 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.92 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.766 ' HB3' HG21 ' A' ' 97' ' ' THR . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.92 HD11 HD12 ' A' ' 78' ' ' LEU . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 88' ' ' VAL . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 65.15 111.201 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.932 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.1 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.893 HG21 ' HB2' ' A' ' 100' ' ' ALA . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 80' ' ' ASN . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 64.51 111.142 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 70.13 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.935 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 73.43 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 16' ' ' TRP . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.877 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 63.52 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 60.12 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 71.53 110.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 74.55 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 51.34 110.893 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 60.41 111.167 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 64.35 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.42 110.894 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 43.31 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 35.54 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.914 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 34' ' ' ILE . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.967 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.41 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 71.11 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 61.11 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 51' ' ' LEU . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 61.34 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 25.14 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 72.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 63.51 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 41' ' ' LEU . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 72.13 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 73.54 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 52.21 110.882 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 62.51 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 75' ' ' LEU . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 63.32 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 73.22 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.949 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.588 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 43.32 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 70.13 110.906 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 63.24 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.953 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 68' ' ' LEU . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.949 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 97' ' ' THR . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 78' ' ' LEU . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.188 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 44.53 111.084 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 88' ' ' VAL . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 72.43 111.185 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 65.12 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 71.11 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.74 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 71.44 111.137 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 61.12 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 92' ' ' ILE . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 52.43 111.137 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.32 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 80' ' ' ASN . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.148 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 53.22 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 71.51 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.906 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 8' ' ' LEU . 58.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 61.24 111.179 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 12' ' ' GLU . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 14.12 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.725 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 52.43 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.667 ' HA ' HD12 ' A' ' 19' ' ' ILE . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.41 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.97 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 54.12 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 71.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.01 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.895 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.3 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 61.42 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 63.51 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 51' ' ' LEU . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.711 HG13 HD12 ' A' ' 50' ' ' LEU . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 HG13 ' A' ' 46' ' ' VAL . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 41' ' ' LEU . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 63.21 110.887 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 73.01 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.844 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 71.1 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 33.52 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 70.23 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.848 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE2' HD11 ' A' ' 101' ' ' LEU . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' A' ' 97' ' ' THR . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 78' ' ' LEU . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.166 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 60.33 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 84' ' ' VAL . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.086 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.152 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 42.2 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.541 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 63.33 111.131 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.477 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 73.23 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 16' ' ' TRP . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.55 110.904 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 52.2 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 23.3 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.6 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 51.43 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.23 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.903 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.094 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 60.1 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 34' ' ' ILE . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.21 110.935 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CE1' HD21 ' A' ' 21' ' ' LEU . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 72.25 110.847 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.545 HD12 HD23 ' A' ' 31' ' ' LEU . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 52.14 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG2' HD21 ' A' ' 78' ' ' LEU . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 54.42 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.51 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 54.52 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 41' ' ' LEU . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 73.52 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.02 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.498 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 60.34 111.108 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.733 HD22 ' HG ' ' A' ' 75' ' ' LEU . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.908 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.7 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 55.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 65' ' ' GLN . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 61.21 110.993 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 71.22 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.733 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.922 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.934 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HE2' HD11 ' A' ' 101' ' ' LEU . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.676 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 61.42 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.934 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 64.23 111.092 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 51.1 111.162 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' VAL . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.145 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.676 HG21 ' CG ' ' A' ' 80' ' ' ASN . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.133 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.935 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 62.01 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 50.11 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 75.13 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 12' ' ' GLU . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 53.44 110.967 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.728 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.42 111.141 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.699 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.868 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 53.11 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 64.14 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 61.12 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 61.34 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CE2' HG21 ' A' ' 84' ' ' VAL . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.853 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 61.1 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.02 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 64.13 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 64.51 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 60.25 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 63.4 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.959 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 65.13 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.21 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 63.41 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 41' ' ' LEU . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 52' ' ' GLU . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 53.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 55.52 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' A' ' 82' ' ' ILE . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 64.11 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 64.33 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 55.32 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.558 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 62.25 110.841 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 64.25 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 63.41 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 78' ' ' LEU . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 71.42 111.152 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 53.54 111.119 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.72 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.902 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 65.41 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 70.44 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.01 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 100' ' ' ALA . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.162 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.01 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.02 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 80' ' ' ASN . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.15 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.66 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 62.43 111.144 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 41.02 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 55.04 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 12' ' ' GLU . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 54.12 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.696 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 62.21 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 65.52 111.118 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 61.44 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 52.23 110.944 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 62.21 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 60.13 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.724 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.008 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 34' ' ' ILE . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.888 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 51.34 110.802 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 31' ' ' LEU . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 72.32 111.104 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.635 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 51' ' ' LEU . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 63.03 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.137 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 54.11 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.768 HD12 HG13 ' A' ' 46' ' ' VAL . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 41' ' ' LEU . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 32.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' CYS . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.14 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 62.32 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 71.02 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 71.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.593 ' CB ' HD21 ' A' ' 75' ' ' LEU . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 62.13 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 70' ' ' THR . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 69' ' ' GLN . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.154 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 41.44 112.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.903 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.94 HD11 HD12 ' A' ' 78' ' ' LEU . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.15 111.164 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.724 HG21 ' CE2' ' A' ' 29' ' ' TYR . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.922 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 63.1 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 52.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 87' ' ' CYS . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 65.43 111.103 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 71.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 100' ' ' ALA . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 62.02 110.874 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 63.22 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.33 111.088 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 98' ' ' LYS . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 54.45 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 74.14 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 85' ' ' LEU . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 62.01 110.874 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 61.31 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 84' ' ' VAL . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 42.24 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 63.04 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 62.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.745 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.33 110.909 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 21' ' ' LEU . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 71.1 110.83 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 53.25 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 53.22 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 51' ' ' LEU . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.1 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.692 HG13 HD12 ' A' ' 50' ' ' LEU . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.692 HD12 HG13 ' A' ' 46' ' ' VAL . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 53.53 110.896 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 HD11 ' A' ' 41' ' ' LEU . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.858 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 61.35 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 31.13 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 61.21 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.23 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CG2' HD13 ' A' ' 82' ' ' ILE . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 58' ' ' ARG . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 62.23 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 65.22 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 71.03 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.93 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 73.45 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.01 110.894 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.616 ' HD2' HD21 ' A' ' 101' ' ' LEU . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 97' ' ' THR . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 78' ' ' LEU . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.52 111.092 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG21 ' CE2' ' A' ' 29' ' ' TYR . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.177 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 HD11 ' A' ' 8' ' ' LEU . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 53.32 110.903 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 62.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.24 111.131 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 52.35 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.34 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.611 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.14 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 80' ' ' ASN . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.123 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 ' HD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 62.1 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.929 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.542 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 64.52 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.594 ' HB2' HD13 ' A' ' 8' ' ' LEU . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 70.21 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 64.53 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 73.03 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.21 110.785 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 71.44 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.899 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 33.24 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 51' ' ' LEU . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.14 111.127 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 44.43 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 46' ' ' VAL . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 63.42 110.835 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.896 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 54.1 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.643 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 62.43 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 57' ' ' CYS . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 62.03 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 75' ' ' LEU . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 62.32 110.908 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.818 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 65' ' ' GLN . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 74.3 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.14 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.58 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.876 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.932 HD12 HD11 ' A' ' 82' ' ' ILE . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 70.12 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.471 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.829 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD11 HD12 ' A' ' 78' ' ' LEU . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 60.31 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 71.45 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 63.44 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 52.24 111.111 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 53.12 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.53 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 100' ' ' ALA . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 80' ' ' ASN . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 51.44 111.143 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 63.43 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.851 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 85' ' ' LEU . 76.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.863 0.363 . . . . 74.54 111.104 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 12' ' ' GLU . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 71.42 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 43.44 110.798 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 52.42 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.935 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 63.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.726 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.073 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.94 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 65.12 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.41 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 53.03 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.14 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG1' HD12 ' A' ' 50' ' ' LEU . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 43.24 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 64.14 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 71.01 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 71.22 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 50' ' ' LEU . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 34.01 111.114 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 43.32 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 73.1 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 61.55 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.34 112.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 64.54 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 42.22 110.913 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.15 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 101' ' ' LEU . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 54.13 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.01 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 70.4 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 78' ' ' LEU . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.726 ' CG1' HG21 ' A' ' 19' ' ' ILE . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.989 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 53.04 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' VAL . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 60.51 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 53.02 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.895 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.13 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 98' ' ' LYS . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 85' ' ' LEU . 43.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.828 0.347 . . . . 33.24 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 12' ' ' GLU . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.04 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 51.15 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.737 HG21 ' CG1' ' A' ' 84' ' ' VAL . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 33' ' ' HIS . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 53.23 110.964 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 63.14 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.763 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 62.51 110.785 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 16' ' ' TRP . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 72.23 111.068 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.62 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 42.24 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 51' ' ' LEU . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 70.11 110.88 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 72.32 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 45.31 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 46' ' ' VAL . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 61.21 110.95 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 41' ' ' LEU . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HG3' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 54.24 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.474 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 54.41 110.859 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 57' ' ' CYS . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' ARG . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 53.41 110.899 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG ' ' A' ' 75' ' ' LEU . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 70.01 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.03 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.416 ' CB ' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.11 110.859 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.14 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 62.45 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.665 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.931 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.42 110.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' A' ' 97' ' ' THR . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 40.41 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.931 HD11 HD12 ' A' ' 78' ' ' LEU . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.149 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 100' ' ' ALA . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.05 111.082 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.737 ' CG1' HG21 ' A' ' 19' ' ' ILE . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.2 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 100' ' ' ALA . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 80' ' ' ASN . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 42.44 111.209 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.24 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 35.32 111.098 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 60.24 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 62.13 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.897 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 45.03 112.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.41 113.98 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 62.14 111.067 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -101.52 118.22 36.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.859 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 126.26 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.093 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.09 79.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.858 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -78.46 -61.52 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 75.3 111.16 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 85' ' ' LEU . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.54 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.22 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 44.33 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 62.33 110.849 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 65.14 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.587 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.44 111.113 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 74.51 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 62.43 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.947 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 34' ' ' ILE . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 74.43 111.17 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 60.41 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 51' ' ' LEU . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 65.33 110.912 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 73.31 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG13 HD12 ' A' ' 50' ' ' LEU . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 62.32 111.137 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 64.45 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD21 HD11 ' A' ' 41' ' ' LEU . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.41 110.888 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 52.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.626 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 65.52 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 75' ' ' LEU . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 61.5 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.549 ' CB ' HD21 ' A' ' 75' ' ' LEU . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 54.12 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 54.21 110.906 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 61.1 110.863 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 43.34 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 78' ' ' LEU . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 88' ' ' VAL . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' HD21 ' A' ' 8' ' ' LEU . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 55.1 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 61.01 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 61.21 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 100' ' ' ALA . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 53.35 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.32 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 61.41 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.6 -45.4 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.854 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -32.77 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.896 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.44 -33.74 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 65.43 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.21 -28.41 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.09 -31.83 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.843 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -68.82 -40.43 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.923 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.0 t -59.6 -34.94 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 61.5 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -68.97 -43.35 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.901 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -29.78 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 63.45 110.9 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -82.68 -32.96 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.0 25.3 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.15 111.107 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -158.47 34.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.941 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -34.77 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.62 -29.99 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.119 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.37 50.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 64.12 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -146.96 56.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.41 111.112 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.12 26.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 p -67.6 129.14 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 51.23 111.166 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.1 -107.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 73.44 112.489 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -58.0 159.25 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 75.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.69 141.94 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 72.01 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -175.9 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 61.33 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -107.55 145.03 33.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 65.1 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -171.02 142.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.34 111.143 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 55.3 p -66.35 164.22 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 53.35 110.893 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -165.57 161.37 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -141.28 56.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 75.45 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.93 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.441 ' H46' HD23 ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 45.03 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.36 47.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 52.02 111.07 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.34 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 54.54 111.09 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 55.41 110.896 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t -82.2 -64.27 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 74.01 111.187 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 72.02 110.85 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.665 ' HB2' HD13 ' A' ' 8' ' ' LEU . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.895 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.659 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.34 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 63.33 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 71.4 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 64.22 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 64.21 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.585 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 60.15 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.686 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 63.45 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.609 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 62.44 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.44 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 63.13 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 51' ' ' LEU . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.901 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.24 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 52.44 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.679 HG13 HD12 ' A' ' 50' ' ' LEU . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 53.41 111.154 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 74.11 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 61.32 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 65.01 110.915 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 41' ' ' LEU . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 43.55 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 43.21 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 52.53 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.742 HD22 ' HG ' ' A' ' 75' ' ' LEU . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 73.13 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 61.33 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HD22 ' A' ' 64' ' ' LEU . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CD2' HD21 ' A' ' 101' ' ' LEU . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.506 ' CG ' HG21 ' A' ' 97' ' ' THR . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 70.31 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.968 HD11 HD12 ' A' ' 78' ' ' LEU . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 25.14 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 88' ' ' VAL . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 51' ' ' LEU . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 84' ' ' VAL . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 43.14 111.164 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' HE1' HD23 ' A' ' 8' ' ' LEU . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 63.43 110.741 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 71.54 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.506 HG21 ' CG ' ' A' ' 80' ' ' ASN . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.46 -34.49 72.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 71.55 110.93 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.79 -30.2 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.874 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -89.56 -29.86 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.929 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.6 -33.18 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -35.6 81.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -39.2 32.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.891 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -44.2 93.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.888 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -56.55 -40.39 75.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.872 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.889 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.85 69.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.01 111.128 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -72.43 -66.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 54.46 27.43 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.82 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 70.31 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.9 25.44 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 50.04 111.162 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.64 -26.01 12.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 70.44 111.101 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -109.6 70.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.32 110.865 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.7 p -56.66 152.69 11.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.166 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.25 147.95 18.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 75.3 112.451 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -163.81 140.69 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 74.2 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -67.04 160.36 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 63.12 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 p -121.76 155.01 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.806 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.57 -175.31 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.2 111.045 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.5 143.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 m -105.59 166.24 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.864 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -132.94 46.38 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.53 160.1 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.93 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.973 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.544 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 63.11 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.43 176.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 65.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -103.14 -175.91 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 75.41 110.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.576 ' HB1' HG23 ' A' ' 7' ' ' VAL . . . -141.74 -46.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m 54.39 37.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.843 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' HB1' ' A' ' 5' ' ' ALA . 49.7 t -88.55 -62.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.3 111.113 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.695 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.11 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.894 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.094 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 71.13 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.646 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 71.41 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.11 110.785 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 51.25 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.617 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 51' ' ' LEU . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.3 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 50' ' ' LEU . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 60.42 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 24.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 46' ' ' VAL . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 64.14 110.941 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 41' ' ' LEU . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.94 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 55.34 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.22 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.649 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 41.34 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' A' ' 75' ' ' LEU . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.906 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 54.42 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 70.34 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.474 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.2 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.1 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 78' ' ' LEU . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.741 HD13 ' HA2' ' A' ' 71' ' ' GLY . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 73.45 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.677 ' OD1' HG21 ' A' ' 97' ' ' THR . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.929 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 50.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 60.45 111.139 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.406 ' HE1' HD23 ' A' ' 8' ' ' LEU . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 42.25 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.776 HG22 HG13 ' A' ' 94' ' ' VAL . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.125 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.776 HG13 HG22 ' A' ' 92' ' ' ILE . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.677 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 53.24 111.135 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 51.05 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -78.86 -48.92 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.68 -42.13 83.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.836 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -58.19 -34.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.885 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.953 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.77 -42.54 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -27.18 44.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.93 -40.85 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.83 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -53.37 -31.88 46.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 63.31 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.83 20.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 63.1 110.904 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -96.9 28.73 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 65.15 110.932 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.86 26.55 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.52 111.176 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -123.13 -70.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.969 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.83 34.13 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 62.34 110.939 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -176.51 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.54 111.062 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.98 27.55 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.135 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -109.09 -28.25 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.41 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.61 -37.83 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.896 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.23 155.4 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.22 111.128 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.23 130.06 50.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 73.31 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -141.75 138.46 32.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 74.03 110.94 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -62.02 136.97 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 p -135.12 -176.02 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.876 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -91.81 -172.66 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -83.97 146.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 62.1 111.117 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 p -88.65 160.12 17.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.76 179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.95 167.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.874 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 71.13 110.959 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 73.33 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.81 -42.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 72.32 111.15 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 158.73 15.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.87 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.2 126.39 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.095 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.92 99.11 8.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.907 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t -82.11 -64.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 53.52 111.133 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.912 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 53.25 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 64.23 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.43 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.694 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.45 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.857 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 72.21 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 33.2 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 34' ' ' ILE . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.66 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 64.21 110.884 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 31' ' ' LEU . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 63.3 111.096 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 64.03 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.11 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 51' ' ' LEU . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.675 HG13 HD12 ' A' ' 50' ' ' LEU . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 61.54 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 61.12 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 HG13 ' A' ' 46' ' ' VAL . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 71.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 41' ' ' LEU . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.93 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.42 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 82' ' ' ILE . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 64.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' H41' ' A' ' 300' ' ' PC8 . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.477 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 71.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD22 ' HA3' ' A' ' 71' ' ' GLY . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 62.05 110.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 70.31 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 62.35 111.095 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 42.21 111.113 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HE1' HD23 ' A' ' 8' ' ' LEU . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 63.41 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.03 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 51.55 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 52.23 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 98' ' ' LYS . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.23 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -53.4 -41.37 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.35 -45.32 91.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.39 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 70.01 110.915 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.51 -41.2 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.31 -44.2 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -39.81 95.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 61.51 110.902 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -30.24 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 62.44 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -34.62 43.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 44.35 110.943 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -75.83 -28.34 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 71.2 110.871 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -69.27 -32.47 71.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.916 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.97 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 62.53 111.065 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -105.43 30.34 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.933 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -28.59 69.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.878 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.78 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 31.45 111.099 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -111.87 59.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 55.53 111.071 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.65 64.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.82 42.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.34 110.851 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.59 176.71 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.15 139.34 40.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 64.53 112.451 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -135.09 -175.06 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 75.42 110.866 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -139.67 124.01 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 52.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.17 165.42 35.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 42.25 110.788 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.0 129.81 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 62.3 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.55 117.57 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.4 111.119 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.39 153.89 42.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 32.43 110.861 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -84.14 171.85 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.12 110.851 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -119.39 167.59 11.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 73.03 110.91 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.508 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.448 -0.261 . . . . 73.24 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.59 25.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 72.24 111.174 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -124.29 -61.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.85 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.96 102.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 54.05 111.089 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.04 98.89 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 74.13 110.913 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.47 -65.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 62.03 111.087 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' TRP . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.1 110.86 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 19' ' ' ILE . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.687 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 51.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 53.52 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 71.41 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 53.4 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.21 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 44.55 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.868 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 34' ' ' ILE . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 60.44 110.773 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 31' ' ' LEU . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 72.24 111.197 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 44.15 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.13 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 51' ' ' LEU . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 65.23 111.124 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 53.43 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 61.53 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 46' ' ' VAL . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 41' ' ' LEU . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.1 110.947 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 65.32 111.124 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 70.43 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD11 ' H48' ' A' ' 300' ' ' PC8 . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 62.52 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.34 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.24 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.21 110.945 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.56 ' CB ' HG21 ' A' ' 97' ' ' THR . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 54.34 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 78' ' ' LEU . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.24 111.142 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 88' ' ' VAL . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 45.53 110.958 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 84' ' ' VAL . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.153 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.648 HG22 HG13 ' A' ' 94' ' ' VAL . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.54 111.122 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.911 HG21 ' HB2' ' A' ' 100' ' ' ALA . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 80' ' ' ASN . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.166 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 53.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 51.4 111.093 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.35 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.85 -46.15 46.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.11 110.923 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.56 -26.46 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 62.45 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -70.99 -30.67 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.855 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -94.39 -26.73 16.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.959 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.56 -44.28 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.84 -32.18 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.872 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -39.46 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.855 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.883 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.54 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.887 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.34 28.46 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.51 110.931 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -141.13 33.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 111.071 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 27.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.96 -37.01 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 63.34 110.846 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.26 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 61.35 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.51 76.87 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 54.02 111.099 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.89 -50.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 63.23 111.082 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.84 90.93 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.12 179.37 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 51.42 111.148 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.07 -23.0 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 71.23 112.526 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 179.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 74.34 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.77 108.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 51.03 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 176.59 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 70.53 110.793 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.93 154.22 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.935 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.42 137.56 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.074 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 p -157.49 152.47 25.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.786 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -53.28 153.76 3.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 71.2 110.926 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -62.1 147.26 48.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 62.34 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 62.45 110.954 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.497 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 45.03 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.92 118.98 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 54.02 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -123.71 77.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 64.2 110.836 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.81 100.12 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 54.13 111.119 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.95 112.75 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.867 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.04 -64.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 12' ' ' GLU . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 52.03 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 53.53 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 60.44 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 19' ' ' ILE . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.999 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 63.13 111.105 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.32 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 72.12 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 73.14 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.4 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.653 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 8' ' ' LEU . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 64.04 111.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 72.22 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 52.22 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG2' HD21 ' A' ' 78' ' ' LEU . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 55.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 43.42 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG13 HD12 ' A' ' 50' ' ' LEU . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 HG13 ' A' ' 46' ' ' VAL . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 41' ' ' LEU . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 65.3 110.941 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 62.44 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 60.03 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 63.23 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 82' ' ' ILE . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.43 111.135 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 43.13 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 62.4 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.593 HD11 ' H48' ' A' ' 300' ' ' PC8 . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.938 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 71.33 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 54.33 110.871 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.913 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.35 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 51.31 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.916 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.928 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.547 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.32 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' HH2' ' A' ' 16' ' ' TRP . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.928 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 53.24 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 88' ' ' VAL . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 55.11 111.073 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 8' ' ' LEU . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 70.35 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 84' ' ' VAL . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.03 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.148 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 51.1 111.095 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.547 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 63.03 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.42 -45.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.931 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -43.67 98.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.924 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.62 -45.95 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -40.1 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.878 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -55.71 -33.68 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.851 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.801 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -53.33 -44.14 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 55.14 110.815 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.92 -44.64 96.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 55.12 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -26.39 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 71.11 110.882 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -26.41 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.884 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.03 33.84 3.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.45 111.147 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.51 -28.32 60.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.35 -32.89 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.924 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.61 -26.09 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 64.13 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.23 44.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.32 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -177.75 -170.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.082 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.8 t70 63.11 29.8 16.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 60.01 110.854 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -127.44 150.47 49.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.175 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.52 128.48 32.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 74.55 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -119.25 173.79 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 65.13 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.63 158.19 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.859 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -86.44 176.67 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 168.63 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.9 p -110.77 132.8 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.33 111.143 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 156.79 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.912 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -90.7 148.39 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -173.87 128.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.85 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.9 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.593 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 45.03 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.34 132.62 56.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 41.1 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -152.11 56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.33 176.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 53.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.09 164.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.891 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 85' ' ' LEU . 60.4 t -91.18 -62.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.01 111.133 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 12' ' ' GLU . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.431 ' HB2' HD13 ' A' ' 8' ' ' LEU . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 ' CG1' ' A' ' 84' ' ' VAL . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.42 111.136 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 29' ' ' TYR . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 74.44 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 51.34 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.23 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 34' ' ' ILE . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 52.31 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 31' ' ' LEU . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 73.2 111.163 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 65.4 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 53.23 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 51' ' ' LEU . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 52.24 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 43.42 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 50' ' ' LEU . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 64.31 111.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 34.33 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 HG13 ' A' ' 46' ' ' VAL . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 41' ' ' LEU . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.823 HG21 HD13 ' A' ' 82' ' ' ILE . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.136 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 104' ' ' ILE . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 35.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.665 HD11 ' C24' ' A' ' 300' ' ' PC8 . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.25 110.86 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.68 HD11 ' CD2' ' A' ' 79' ' ' TYR . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 54.11 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.43 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.54 110.936 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.828 HD23 ' H48' ' A' ' 300' ' ' PC8 . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.68 ' CD2' HD11 ' A' ' 68' ' ' LEU . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.823 HD13 HG21 ' A' ' 60' ' ' ILE . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' ' 61' ' ' LEU . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 42.04 111.165 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.044 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 ' CG1' ' A' ' 7' ' ' VAL . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.92 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 62.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 71.31 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 100' ' ' ALA . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 72.15 111.121 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 101' ' ' LEU . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.822 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 42.42 111.149 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.906 HD11 HG22 ' A' ' 97' ' ' THR . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.963 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.498 HD13 HD13 ' A' ' 61' ' ' LEU . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.02 111.159 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -37.27 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 53.23 110.889 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.21 -48.09 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -35.35 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.838 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -74.35 -49.54 22.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 73.04 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.76 -26.6 57.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -30.48 49.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.904 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.819 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -81.88 -32.16 31.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 75.5 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -76.22 -50.3 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.904 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -57.48 -30.61 65.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 73.01 110.921 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.03 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 54.31 111.047 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -74.78 -67.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.13 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.64 27.82 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.912 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -172.1 -40.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.13 111.094 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.08 25.53 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -107.16 26.17 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 62.02 111.07 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -102.84 32.87 3.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.0 p -92.12 170.79 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 71.21 111.059 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.63 117.22 8.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 64.43 112.473 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.04 164.49 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 62.43 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.77 177.27 4.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 52.11 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.41 174.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.929 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -169.02 176.01 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.12 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.55 133.59 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.21 108.01 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.871 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.99 111.12 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.23 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -70.92 141.62 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.845 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.828 ' H48' HD23 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.548 -0.221 . . . . 75.23 112.548 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.61 40.59 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.22 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -93.51 104.28 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.51 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.089 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -162.62 152.36 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 33.53 110.828 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 85' ' ' LEU . 93.1 t -82.99 -64.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 45.3 111.063 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 12' ' ' GLU . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.731 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 19' ' ' ILE . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 16' ' ' TRP . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.102 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 33' ' ' HIS . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 51.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 73.33 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.32 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.801 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.43 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 44.3 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.961 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 60.03 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 51' ' ' LEU . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.04 111.185 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 54.53 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 53.23 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 46' ' ' VAL . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD11 HD12 ' A' ' 41' ' ' LEU . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 71.52 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 61.13 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 62.11 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.196 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.2 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 63.4 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD21 ' H48' ' A' ' 300' ' ' PC8 . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.923 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 71.22 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.759 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.98 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 60.05 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.533 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 60.34 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 63.54 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 64.21 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.414 HG23 ' HH2' ' A' ' 16' ' ' TRP . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 72.24 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 78' ' ' LEU . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.801 HG21 ' CE2' ' A' ' 29' ' ' TYR . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.918 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.561 HG11 ' HB3' ' A' ' 12' ' ' GLU . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HE1' HD23 ' A' ' 8' ' ' LEU . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 54.54 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.071 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 64.25 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.43 111.128 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' N ' HG23 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 62.12 110.903 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 70.3 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.09 -30.47 70.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.26 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.82 -38.32 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.914 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.92 99.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.942 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -69.34 -28.14 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.43 110.896 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -77.78 -30.16 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 64.24 110.916 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -38.8 33.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 34.13 110.852 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -60.27 -35.07 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -58.2 -30.25 66.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.94 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -26.68 37.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 61.41 110.879 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.04 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.34 111.112 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -154.2 28.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.41 -35.37 14.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.884 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.53 -26.44 64.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 60.25 111.097 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.17 52.78 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.04 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.09 27.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.43 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -90.12 -36.94 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.7 p -71.77 151.76 43.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 54.24 111.187 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.63 -167.63 18.93 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 40.41 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -157.09 159.9 38.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.12 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.38 133.47 33.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.25 166.58 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 72.55 110.886 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -74.63 135.35 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.32 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.89 139.65 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.55 111.131 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 172.35 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.14 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -86.19 -179.9 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 73.21 110.874 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.839 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 61.32 110.953 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.519 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 45.03 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.59 67.38 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 52.42 111.055 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 53.49 62.94 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.887 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.1 -176.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 65.44 111.127 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.875 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -100.01 -71.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 64.53 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 12' ' ' GLU . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 71.33 110.883 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.157 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 33' ' ' HIS . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 65.15 110.919 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 53.03 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.857 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 62.41 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 84' ' ' VAL . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 54.02 110.936 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HD12 ' A' ' 8' ' ' LEU . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 45.43 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 53.34 110.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 55.22 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 HD12 ' A' ' 50' ' ' LEU . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.127 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 64.34 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 60' ' ' ILE . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 73.32 110.939 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 85' ' ' LEU . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.94 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 63.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 61.11 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 60.2 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.711 HD11 ' H48' ' A' ' 300' ' ' PC8 . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 68' ' ' LEU . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 55.22 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 71.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 65' ' ' GLN . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 54.12 112.476 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 51.54 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.943 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.48 ' CG ' HG21 ' A' ' 97' ' ' THR . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.915 HD11 HD12 ' A' ' 78' ' ' LEU . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 54.31 111.156 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 88' ' ' VAL . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.123 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 51' ' ' LEU . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.982 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 44.34 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' HD23 ' A' ' 8' ' ' LEU . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 72.44 110.83 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 54.31 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.614 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.137 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 80' ' ' ASN . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 70.25 111.13 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 54.54 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.931 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.078 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 65.42 110.881 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.52 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.11 -40.91 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 61.35 110.861 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.94 -44.59 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.41 -34.17 77.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 54.53 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.31 -54.82 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.42 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -56.03 -39.18 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -58.65 -34.28 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 m -69.64 -38.85 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.85 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.39 88.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.55 -45.48 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.5 110.915 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -31.6 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.12 110.873 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.92 32.97 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 55.11 111.074 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -151.04 30.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 65.41 110.895 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -35.45 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.907 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.59 28.73 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 61.32 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.51 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 53.33 111.108 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.11 -46.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 45.24 111.128 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -46.19 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.812 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.45 -179.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.13 111.188 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.61 54.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 64.2 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -91.88 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.336 . . . . 72.33 110.907 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -54.23 164.43 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.837 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.46 142.86 30.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 43.45 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.43 145.35 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 60.3 110.919 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -100.56 143.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 63.1 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 p -146.22 121.38 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.778 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -139.23 -178.62 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -150.01 120.23 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.885 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.711 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.537 -0.225 . . . . 75.22 112.537 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.88 179.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 54.52 111.075 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -90.04 57.11 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.874 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.87 37.18 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 71.11 111.1 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -114.47 170.9 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.881 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 34' ' ' ILE . 66.2 t -95.79 -71.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 64.34 111.117 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 12' ' ' GLU . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.938 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 61.31 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CZ3' HD12 ' A' ' 85' ' ' LEU . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.892 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.723 HG21 ' CG1' ' A' ' 84' ' ' VAL . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 54.11 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 29' ' ' TYR . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 62.23 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 72.34 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 65.15 110.924 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.54 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.553 HG23 HG11 ' A' ' 7' ' ' VAL . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 50.31 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.607 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 54.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 46' ' ' VAL . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 61.22 110.945 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.15 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.24 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.644 HG13 HD12 ' A' ' 50' ' ' LEU . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 72.14 111.142 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 54.31 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 44.03 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 21.12 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 85' ' ' LEU . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 50' ' ' LEU . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' HG ' ' A' ' 75' ' ' LEU . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 72.24 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.03 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 64.42 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 55.42 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HG ' HD22 ' A' ' 64' ' ' LEU . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 43.14 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.874 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.11 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 78' ' ' LEU . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.723 ' CG1' HG21 ' A' ' 19' ' ' ILE . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.148 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.968 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 84' ' ' VAL . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 8' ' ' LEU . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 64.01 110.802 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 64.24 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.59 HG22 HG13 ' A' ' 94' ' ' VAL . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.1 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 42.34 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 43.45 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 61.55 111.166 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.41 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.84 -27.17 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.06 -26.69 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.873 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.31 -40.2 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 51.43 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -55.03 -32.6 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.86 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.38 -39.55 76.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -56.55 -28.89 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -29.06 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 73.51 110.901 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -72.09 -29.26 63.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.25 110.832 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.55 110.869 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -63.97 -28.39 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.883 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.79 31.34 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 62.33 111.141 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.07 29.72 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.913 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.14 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.1 -48.99 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.095 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.84 65.15 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 53.44 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.86 -42.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.55 111.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.45 68.45 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.884 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.63 173.39 12.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.15 111.138 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.35 172.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.477 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.75 154.61 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.309 . . . . 74.53 110.908 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -94.41 158.97 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.9 t -95.87 148.98 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.864 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -72.5 178.66 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.944 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.23 160.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.44 111.171 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.29 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.865 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.37 -172.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 55.11 110.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.9 179.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 64.31 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 65.32 110.921 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.475 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.541 -0.224 . . . . 54.1 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.58 164.43 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 31.12 111.115 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.7 -171.77 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.845 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.84 96.84 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 72.02 111.103 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -104.57 85.45 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 51.23 110.851 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -78.98 -61.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.23 111.189 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 53.24 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 71.22 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.705 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.01 111.167 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 33' ' ' HIS . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 63.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 72.42 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.22 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 52.33 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.935 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 55.13 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.42 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.662 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.04 111.139 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 63.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.662 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 85' ' ' LEU . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 62.35 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.01 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' LEU . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.117 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 53.4 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.21 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD21 ' H40' ' A' ' 300' ' ' PC8 . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 63.34 110.864 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 51.03 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 44.11 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 54.33 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 54.41 110.97 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.92 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.766 ' HB3' HG21 ' A' ' 97' ' ' THR . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.92 HD11 HD12 ' A' ' 78' ' ' LEU . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 88' ' ' VAL . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 65.15 111.201 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.932 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.1 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.893 HG21 ' HB2' ' A' ' 100' ' ' ALA . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 80' ' ' ASN . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 64.51 111.142 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 70.13 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.86 -49.32 59.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.6 -26.47 68.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 75.41 110.901 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.61 -27.36 41.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.842 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -84.4 -30.14 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 72.41 110.923 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.85 -34.65 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -54.29 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -26.81 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 65.51 110.799 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -27.92 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 73.12 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -87.06 -37.98 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.953 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.952 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.34 -25.29 67.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 42.12 111.077 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.4 36.14 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 43.32 110.944 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -84.23 -27.36 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.917 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.79 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.126 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.23 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.091 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 28.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 54.42 111.176 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.44 32.67 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 p -94.85 179.35 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 62.41 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.89 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.82 -0.705 . . . . 71.03 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.52 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 74.12 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -75.33 166.65 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 55.41 110.921 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.8 p -121.74 79.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.811 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 154.41 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.883 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.76 171.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 50.15 111.183 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.75 176.13 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 62.42 110.806 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 168.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 64.12 110.896 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -82.97 -176.21 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.947 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.534 ' H40' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.504 -0.239 . . . . 45.03 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.62 176.83 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 43.04 111.077 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -128.14 113.39 15.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 61.11 110.864 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.26 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.43 111.133 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -104.21 99.36 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.41 -44.93 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.43 111.147 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 16' ' ' TRP . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.877 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 63.52 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 60.12 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 71.53 110.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 74.55 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 51.34 110.893 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 60.41 111.167 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 64.35 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.42 110.894 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 43.31 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 35.54 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.914 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 34' ' ' ILE . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.967 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.41 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 71.11 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 61.11 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 51' ' ' LEU . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 61.34 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 25.14 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 72.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 63.51 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 41' ' ' LEU . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 72.13 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 73.54 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 52.21 110.882 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 62.51 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 75' ' ' LEU . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 63.32 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 73.22 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.949 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.588 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 43.32 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 70.13 110.906 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 63.24 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.953 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 68' ' ' LEU . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.949 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 97' ' ' THR . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 78' ' ' LEU . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.188 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 44.53 111.084 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 88' ' ' VAL . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 72.43 111.185 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 65.12 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 71.11 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.74 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 71.44 111.137 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 61.12 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 92' ' ' ILE . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 52.43 111.137 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.32 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 80' ' ' ASN . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.148 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 53.22 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 71.51 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.48 -30.03 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.906 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -55.13 5.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.876 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.14 -37.82 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -71.25 -47.38 57.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -58.15 -33.31 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.88 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.99 -51.55 61.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.846 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.93 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 65.23 110.88 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -58.52 -44.39 89.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.986 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -28.11 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 64.13 110.884 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -100.04 33.13 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -140.27 28.23 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.15 111.15 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -36.85 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.911 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.0 -51.61 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.51 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.44 -56.31 13.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 62.33 111.113 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 115' ' ' ALA . . . -74.02 79.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.1 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.53 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.126 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -100.14 70.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 75.22 110.852 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -113.69 86.1 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.125 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.46 131.01 10.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 74.24 112.507 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -104.48 169.51 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 52.24 110.948 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -124.61 159.28 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.922 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 81.8 p -141.61 177.64 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -80.6 -176.62 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 64.33 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.05 120.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 70.32 111.106 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.75 105.16 15.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 51.14 110.847 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -170.38 162.38 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.872 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -57.78 164.35 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 54.41 110.878 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.524 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.535 -0.226 . . . . 45.03 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.69 42.75 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 61.24 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -115.33 147.07 40.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.843 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.7 50.05 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.059 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -121.01 67.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 65.35 110.868 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 8' ' ' LEU . 58.9 t -78.93 -61.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.179 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 12' ' ' GLU . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 14.12 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.725 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 52.43 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.667 ' HA ' HD12 ' A' ' 19' ' ' ILE . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.41 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.97 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 54.12 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 71.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.01 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.895 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.3 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 61.42 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 63.51 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 51' ' ' LEU . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.711 HG13 HD12 ' A' ' 50' ' ' LEU . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 HG13 ' A' ' 46' ' ' VAL . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 41' ' ' LEU . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 63.21 110.887 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' H40' ' A' ' 300' ' ' PC8 . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 73.01 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.844 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 71.1 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 33.52 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 70.23 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.848 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE2' HD11 ' A' ' 101' ' ' LEU . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' A' ' 97' ' ' THR . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 78' ' ' LEU . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.166 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 60.33 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 84' ' ' VAL . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.086 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.152 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 42.2 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.541 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 63.33 111.131 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.477 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -36.32 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.19 -32.78 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 60.22 110.912 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.8 -43.43 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -67.21 -41.43 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.03 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -55.38 -54.35 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.884 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -55.33 -34.63 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.958 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 t -71.7 -26.65 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -83.29 -26.06 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.951 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 -42.12 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.876 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -52.06 -31.72 31.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.938 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.15 -30.63 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 64.5 111.075 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.98 34.69 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 75.35 110.951 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.71 -29.86 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 53.34 111.164 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.57 51.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.35 111.079 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.73 59.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 51.04 111.127 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.56 -68.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.15 110.884 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.33 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.194 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.36 106.1 3.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 63.14 112.503 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.1 157.41 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 72.34 110.875 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -56.46 123.28 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.894 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -145.74 129.18 16.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.51 146.91 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.8 m -145.26 168.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.22 111.137 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.37 146.66 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.2 110.867 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 95.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 54.34 110.889 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -154.9 114.39 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.933 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.55 ' H40' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.5 -0.24 . . . . 51.11 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.38 174.34 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 74.31 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -70.7 156.01 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.91 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.17 157.41 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 51.45 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 169.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 61.02 110.873 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.17 -68.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 73.23 111.135 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 16' ' ' TRP . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.55 110.904 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 52.2 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 23.3 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.6 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 51.43 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.23 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.903 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.094 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 60.1 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 34' ' ' ILE . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.21 110.935 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CE1' HD21 ' A' ' 21' ' ' LEU . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 72.25 110.847 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.545 HD12 HD23 ' A' ' 31' ' ' LEU . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 52.14 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG2' HD21 ' A' ' 78' ' ' LEU . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 54.42 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.51 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 54.52 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 41' ' ' LEU . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 73.52 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.02 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.498 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 60.34 111.108 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.733 HD22 ' HG ' ' A' ' 75' ' ' LEU . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.908 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.3 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 55.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 65' ' ' GLN . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 61.21 110.993 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 71.22 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.733 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.922 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.934 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HE2' HD11 ' A' ' 101' ' ' LEU . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.676 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 61.42 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.934 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 64.23 111.092 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 51.1 111.162 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' VAL . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.145 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.676 HG21 ' CG ' ' A' ' 80' ' ' ASN . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.133 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.935 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 62.01 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 50.11 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.25 -39.77 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.46 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.889 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.28 -45.69 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 75.43 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -73.77 -29.81 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.895 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.49 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -49.69 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.928 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -30.62 61.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 75.52 110.897 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -37.93 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.905 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.49 -35.53 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.859 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.14 69.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.086 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -121.86 36.13 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.976 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.87 -32.6 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.37 -36.56 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 70.03 111.102 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.32 65.86 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.138 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.8 -52.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.097 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.7 -28.37 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.13 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -32.86 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.13 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.7 -145.47 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 73.4 112.501 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -161.58 51.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.333 . . . . 74.42 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -142.49 86.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 p -154.78 89.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 74.13 110.83 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -76.74 176.27 8.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 39.4 t -100.43 92.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.31 104.52 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -169.07 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 75.22 110.922 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -72.37 145.31 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.51 110.847 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.21 110.937 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.613 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.448 -0.261 . . . . 71.54 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.44 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 54.24 111.171 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -49.38 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 61.31 110.847 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.91 -177.98 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 53.54 111.05 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.85 152.09 24.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 60.42 110.845 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.03 -63.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 12' ' ' GLU . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 53.44 110.967 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.728 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.42 111.141 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.699 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.868 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 53.11 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 64.14 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 61.12 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 61.34 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CE2' HG21 ' A' ' 84' ' ' VAL . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.853 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 61.1 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.02 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 64.13 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 64.51 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 60.25 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 63.4 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.959 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 65.13 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.21 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 63.41 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 41' ' ' LEU . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 52' ' ' GLU . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 53.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 55.52 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' A' ' 82' ' ' ILE . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 64.11 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 64.33 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 ' H48' ' A' ' 300' ' ' PC8 . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 55.32 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.558 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 62.25 110.841 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 64.25 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 63.41 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 78' ' ' LEU . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 71.42 111.152 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 53.54 111.119 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.72 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.902 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 65.41 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 70.44 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.01 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 100' ' ' ALA . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.162 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.01 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.02 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 80' ' ' ASN . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.15 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.66 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 62.43 111.144 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 41.02 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.42 -47.06 82.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.84 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.95 -30.12 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 70.32 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -44.09 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.48 -45.38 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 42.14 110.868 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -59.36 -27.24 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 t -79.22 -39.15 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.5 110.874 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -45.6 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.883 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -32.77 72.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -26.41 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.93 31.07 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.25 111.041 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.54 26.28 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 65.22 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -87.94 -33.78 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.0 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 61.41 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.67 80.7 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.25 111.06 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.01 -51.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.096 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.18 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.35 110.939 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.3 p -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.08 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.62 158.49 4.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 73.42 112.508 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.19 162.73 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 63.1 110.89 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.71 165.2 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.877 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 136.04 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.1 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.55 129.34 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 71.44 110.95 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.0 m -89.5 144.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 51.02 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.67 146.11 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.799 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 175.62 8.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 75.13 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.8 89.83 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.937 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.951 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.502 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.439 -0.265 . . . . 45.03 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.61 168.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.712 0.292 . . . . 64.04 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 57.13 71.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 64.51 110.875 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.42 64.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -65.28 143.24 57.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 64.03 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t -111.96 -68.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.04 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 12' ' ' GLU . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 54.12 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.696 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 62.21 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 65.52 111.118 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 61.44 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 52.23 110.944 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 62.21 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 60.13 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.724 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.008 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 34' ' ' ILE . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.888 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 51.34 110.802 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 31' ' ' LEU . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 72.32 111.104 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.635 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 51' ' ' LEU . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 63.03 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.137 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 54.11 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.768 HD12 HG13 ' A' ' 46' ' ' VAL . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 41' ' ' LEU . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 32.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' CYS . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.14 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 62.32 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 71.02 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 71.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.593 ' CB ' HD21 ' A' ' 75' ' ' LEU . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 62.13 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 70' ' ' THR . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 69' ' ' GLN . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.154 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 41.44 112.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.903 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.94 HD11 HD12 ' A' ' 78' ' ' LEU . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.15 111.164 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.724 HG21 ' CE2' ' A' ' 29' ' ' TYR . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.922 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 63.1 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 52.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 87' ' ' CYS . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 65.43 111.103 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 71.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 100' ' ' ALA . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 62.02 110.874 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 63.22 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.33 111.088 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 98' ' ' LYS . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 54.45 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.39 -31.75 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -75.53 -30.06 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.871 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.82 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.849 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -90.3 -26.54 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.96 -34.62 75.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.25 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -75.48 -26.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.83 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -80.15 -29.52 38.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.883 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -43.08 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.891 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.83 26.31 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 70.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -171.35 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.45 111.108 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.03 28.53 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 63.52 110.992 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.43 27.17 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 40.33 110.959 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -146.75 29.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.12 111.056 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -158.55 26.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.88 27.44 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 60.54 111.067 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -128.49 -48.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.836 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.4 p -73.38 172.11 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 73.45 111.136 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.79 132.3 11.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 70.42 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -168.29 138.13 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 73.14 110.892 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -70.82 159.29 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 61.31 110.873 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.8 m -117.04 -175.42 2.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 72.12 110.85 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -157.74 139.14 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.964 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -103.08 173.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 63.14 111.168 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 168.06 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.876 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 164.33 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -97.44 -26.91 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.87 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 75.25 110.931 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 45.03 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.85 67.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.739 0.304 . . . . 45.04 111.138 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 58.99 86.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -164.1 167.92 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 55.53 111.082 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 145.26 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.849 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.57 -61.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.149 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 85' ' ' LEU . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 62.01 110.874 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 61.31 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 84' ' ' VAL . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 42.24 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 63.04 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 62.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.745 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.33 110.909 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 21' ' ' LEU . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 71.1 110.83 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 53.25 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 53.22 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 51' ' ' LEU . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.1 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.692 HG13 HD12 ' A' ' 50' ' ' LEU . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.692 HD12 HG13 ' A' ' 46' ' ' VAL . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 53.53 110.896 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 HD11 ' A' ' 41' ' ' LEU . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' OE2' ' HB1' ' A' ' 5' ' ' ALA . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.858 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 61.35 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 31.13 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 61.21 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.23 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CG2' HD13 ' A' ' 82' ' ' ILE . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 58' ' ' ARG . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 62.23 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 65.22 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 71.03 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.93 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 73.45 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.01 110.894 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.616 ' HD2' HD21 ' A' ' 101' ' ' LEU . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 97' ' ' THR . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 78' ' ' LEU . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.52 111.092 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG21 ' CE2' ' A' ' 29' ' ' TYR . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.177 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 HD11 ' A' ' 8' ' ' LEU . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 53.32 110.903 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 62.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.24 111.131 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 52.35 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.34 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.611 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.14 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 80' ' ' ASN . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.123 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 ' HD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.06 -35.53 73.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.12 -46.84 31.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.84 -34.33 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.32 -29.78 66.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 54.53 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -53.52 -33.41 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.948 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -30.63 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 64.12 110.913 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.77 -31.22 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.845 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -62.45 -31.65 72.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 55.11 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -96.43 28.14 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 64.24 110.896 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.26 27.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 53.45 110.917 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.45 26.74 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.144 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.06 43.13 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.878 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -125.59 -58.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.08 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 43.42 111.072 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.65 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.13 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.95 -35.43 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.02 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.95 26.32 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.3 -170.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 72.25 111.199 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.76 -81.8 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.768 -0.73 . . . . 62.25 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -130.43 131.51 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 73.52 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.24 161.44 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 73.5 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.35 101.0 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -118.51 160.66 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 64.12 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -57.63 164.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 60.44 111.113 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 t -103.62 -176.97 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 52.3 110.846 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.21 167.26 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 74.31 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.85 93.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.834 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.127 -0.488 . . . . 65.03 110.911 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 45.03 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.36 -45.69 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 73.2 111.062 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -96.74 -176.59 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.74 82.14 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 61.31 111.081 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.68 158.77 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.833 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.71 -67.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 62.1 111.139 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.929 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.542 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 64.52 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.594 ' HB2' HD13 ' A' ' 8' ' ' LEU . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 70.21 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 64.53 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 73.03 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.21 110.785 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 71.44 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.899 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 33.24 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 51' ' ' LEU . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.14 111.127 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 44.43 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 46' ' ' VAL . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 63.42 110.835 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.896 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 54.1 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.643 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 62.43 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 57' ' ' CYS . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 62.03 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 75' ' ' LEU . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 62.32 110.908 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.818 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 65' ' ' GLN . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 74.3 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.14 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.58 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.876 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.932 HD12 HD11 ' A' ' 82' ' ' ILE . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 70.12 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.471 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.829 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD11 HD12 ' A' ' 78' ' ' LEU . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 60.31 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 71.45 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 63.44 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 52.24 111.111 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 53.12 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.53 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 100' ' ' ALA . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 80' ' ' ASN . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 51.44 111.143 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 63.43 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.22 -47.08 46.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.851 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.0 -38.75 83.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 54.1 110.95 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -31.07 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.94 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.86 -27.66 49.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.849 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -46.66 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 31.44 110.897 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.0 -39.78 82.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.847 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.7 -28.68 70.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 64.42 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -43.57 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 75.31 110.895 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -27.98 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.846 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -71.62 -28.72 63.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 72.45 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -106.2 35.44 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.094 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.24 30.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -66.3 -33.57 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 74.35 110.932 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.3 77.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.129 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.06 47.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 73.35 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.52 30.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -142.77 54.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 70.02 110.801 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.8 p -56.11 114.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.42 111.176 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.75 83.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.832 -0.699 . . . . 45.34 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.68 167.93 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 53.13 110.86 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.89 118.59 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 63.44 110.88 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.55 -178.73 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.854 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.88 126.18 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.907 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.92 148.44 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.157 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.6 p -104.46 123.77 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 71.32 110.812 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 49.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 73.5 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -161.24 155.59 22.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.927 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.415 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.527 -0.229 . . . . 45.03 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.46 135.69 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 74.34 111.098 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -60.63 107.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.83 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.74 68.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -98.11 121.61 40.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 85' ' ' LEU . 76.5 t -102.79 -71.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.54 111.104 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 12' ' ' GLU . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 71.42 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 43.44 110.798 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 52.42 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.935 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 63.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.726 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.073 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.94 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 65.12 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.41 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 53.03 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.14 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG1' HD12 ' A' ' 50' ' ' LEU . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 43.24 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 64.14 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 71.01 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 71.22 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 50' ' ' LEU . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 34.01 111.114 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 43.32 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 73.1 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 61.55 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.34 112.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 64.54 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 42.22 110.913 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.15 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 101' ' ' LEU . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 54.13 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.01 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 70.4 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 78' ' ' LEU . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.726 ' CG1' HG21 ' A' ' 19' ' ' ILE . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.989 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 53.04 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' VAL . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 60.51 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 53.02 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.895 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.13 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 98' ' ' LYS . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.63 -36.42 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -28.28 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 65.04 110.841 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -80.8 -27.03 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.54 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -53.38 -31.67 45.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.918 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.28 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.869 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -61.43 -31.27 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 72.1 110.817 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -75.45 -39.93 58.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 65.52 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.88 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.31 110.884 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -26.94 30.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.32 110.941 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -102.74 29.88 5.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 70.41 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.49 45.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 65.42 110.878 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -101.66 -27.56 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.861 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.42 26.19 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 74.52 111.151 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.28 25.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 42.22 111.05 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -131.94 38.1 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 63.32 111.105 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -161.53 -41.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.828 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.1 p 51.33 -170.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.137 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.79 9.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 75.22 112.476 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -52.54 108.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 71.12 110.877 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.37 133.97 52.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.897 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.8 p -164.67 -179.06 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -88.72 98.38 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 61.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.4 104.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 72.54 111.149 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 t -121.19 146.24 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -65.06 154.69 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.947 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.67 -177.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 70.43 110.973 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.545 -0.222 . . . . 45.03 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.98 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 65.12 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.13 89.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.849 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.64 125.17 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 24.12 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.32 163.49 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 64.22 110.884 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 85' ' ' LEU . 43.7 t -105.08 -55.21 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 33.24 111.165 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 12' ' ' GLU . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.04 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 51.15 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.737 HG21 ' CG1' ' A' ' 84' ' ' VAL . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 33' ' ' HIS . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 53.23 110.964 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 63.14 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.763 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 62.51 110.785 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 16' ' ' TRP . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 72.23 111.068 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.62 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 42.24 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 51' ' ' LEU . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 70.11 110.88 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 72.32 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 45.31 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 46' ' ' VAL . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 61.21 110.95 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 41' ' ' LEU . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HG3' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 54.24 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.474 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 54.41 110.859 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 57' ' ' CYS . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' ARG . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 53.41 110.899 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG ' ' A' ' 75' ' ' LEU . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 70.01 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.03 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.416 ' CB ' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.11 110.859 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.14 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 62.45 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.665 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.931 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.42 110.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' A' ' 97' ' ' THR . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 40.41 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.931 HD11 HD12 ' A' ' 78' ' ' LEU . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.149 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 100' ' ' ALA . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.05 111.082 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.737 ' CG1' HG21 ' A' ' 19' ' ' ILE . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.2 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 100' ' ' ALA . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 80' ' ' ASN . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 42.44 111.209 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.24 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 35.32 111.098 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 60.24 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 62.13 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.897 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -37.11 85.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.21 -46.22 88.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.21 -47.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.93 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -54.35 -46.49 72.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.866 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.03 -48.39 67.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.2 110.914 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -40.41 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 44.51 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -55.41 -28.23 52.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -84.3 -28.39 27.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 60.44 110.915 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 40.12 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.48 30.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.22 111.055 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -139.99 32.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.79 -35.98 77.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.45 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.34 26.25 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 60.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.75 34.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.5 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -145.42 26.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.22 111.099 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -106.61 29.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.24 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.8 p -103.01 166.74 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.153 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -83.26 75.34 2.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.469 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.4 31.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 64.14 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.1 -176.06 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 72.41 110.883 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.7 p -155.1 131.17 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 63.2 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.53 91.36 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.2 96.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 70.54 111.163 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 105.99 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -145.93 129.19 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.89 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.37 163.09 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.887 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 75.42 111.01 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' PC8 . . . . . 0.521 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.898 0.38 . . . . 75.3 111.16 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 85' ' ' LEU . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.54 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.22 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 44.33 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 62.33 110.849 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 65.14 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.587 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.44 111.113 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 74.51 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 62.43 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.947 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 34' ' ' ILE . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 74.43 111.17 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 60.41 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 51' ' ' LEU . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 65.33 110.912 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 73.31 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG13 HD12 ' A' ' 50' ' ' LEU . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 62.32 111.137 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 64.45 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.451 HD21 HD11 ' A' ' 41' ' ' LEU . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.41 110.888 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 52.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.626 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 65.52 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 75' ' ' LEU . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 61.5 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.549 ' CB ' HD21 ' A' ' 75' ' ' LEU . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 54.12 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 54.21 110.906 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 61.1 110.863 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 43.34 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 78' ' ' LEU . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 88' ' ' VAL . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' HD21 ' A' ' 8' ' ' LEU . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 55.1 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 61.01 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 61.21 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 100' ' ' ALA . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 53.35 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.32 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 61.41 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.854 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.845 0.355 . . . . 74.01 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.64 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 72.02 110.85 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.665 ' HB2' HD13 ' A' ' 8' ' ' LEU . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.895 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.659 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.34 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 63.33 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 71.4 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 64.22 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 64.21 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.585 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 60.15 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.686 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 63.45 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.609 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 62.44 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.44 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 63.13 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 51' ' ' LEU . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.901 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.24 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 52.44 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.679 HG13 HD12 ' A' ' 50' ' ' LEU . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 53.41 111.154 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 74.11 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 61.32 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 65.01 110.915 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 41' ' ' LEU . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 43.55 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 43.21 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 52.53 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.742 HD22 ' HG ' ' A' ' 75' ' ' LEU . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 73.13 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 61.33 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HD22 ' A' ' 64' ' ' LEU . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CD2' HD21 ' A' ' 101' ' ' LEU . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.506 ' CG ' HG21 ' A' ' 97' ' ' THR . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 70.31 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.968 HD11 HD12 ' A' ' 78' ' ' LEU . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 25.14 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 88' ' ' VAL . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 51' ' ' LEU . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 84' ' ' VAL . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 43.14 111.164 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.421 ' HE1' HD23 ' A' ' 8' ' ' LEU . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 63.43 110.741 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 71.54 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.506 HG21 ' CG ' ' A' ' 80' ' ' ASN . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.923 0.392 . . . . 74.3 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.695 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.11 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.894 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.094 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 71.13 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.646 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 71.41 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.11 110.785 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 51.25 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.617 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 51' ' ' LEU . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.3 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 50' ' ' LEU . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 60.42 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 24.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 46' ' ' VAL . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 64.14 110.941 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 41' ' ' LEU . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.94 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 55.34 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.22 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.649 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 41.34 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' A' ' 75' ' ' LEU . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.906 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 54.42 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 70.34 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.474 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.2 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.1 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 78' ' ' LEU . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.741 HD13 ' HA2' ' A' ' 71' ' ' GLY . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 73.45 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.677 ' OD1' HG21 ' A' ' 97' ' ' THR . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.929 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 50.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 60.45 111.139 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.406 ' HE1' HD23 ' A' ' 8' ' ' LEU . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 42.25 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.776 HG22 HG13 ' A' ' 94' ' ' VAL . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.125 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.776 HG13 HG22 ' A' ' 92' ' ' ILE . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.677 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 53.24 111.135 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 51.05 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.885 0.374 . . . . 53.52 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.912 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 53.25 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 64.23 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.43 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.694 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.45 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.857 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 72.21 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 33.2 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 34' ' ' ILE . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.66 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 64.21 110.884 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 31' ' ' LEU . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 63.3 111.096 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 64.03 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.11 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 51' ' ' LEU . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.675 HG13 HD12 ' A' ' 50' ' ' LEU . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 61.54 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 61.12 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 HG13 ' A' ' 46' ' ' VAL . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 71.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 41' ' ' LEU . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.93 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.42 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 82' ' ' ILE . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 64.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.477 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 71.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD22 ' HA3' ' A' ' 71' ' ' GLY . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 62.05 110.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 70.31 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 62.35 111.095 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 42.21 111.113 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HE1' HD23 ' A' ' 8' ' ' LEU . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 63.41 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.03 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 51.55 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 52.23 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 98' ' ' LYS . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.23 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.837 0.351 . . . . 62.03 111.087 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' TRP . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.1 110.86 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 19' ' ' ILE . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.687 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 51.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 53.52 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 71.41 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 53.4 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.21 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 44.55 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.868 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 34' ' ' ILE . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 60.44 110.773 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 31' ' ' LEU . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 72.24 111.197 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 44.15 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.13 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 51' ' ' LEU . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 65.23 111.124 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 53.43 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 61.53 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 46' ' ' VAL . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 41' ' ' LEU . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.1 110.947 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 65.32 111.124 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 70.43 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 62.52 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.34 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.24 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.21 110.945 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.56 ' CB ' HG21 ' A' ' 97' ' ' THR . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 54.34 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 78' ' ' LEU . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.24 111.142 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 88' ' ' VAL . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 45.53 110.958 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 84' ' ' VAL . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.153 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.648 HG22 HG13 ' A' ' 94' ' ' VAL . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.54 111.122 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.911 HG21 ' HB2' ' A' ' 100' ' ' ALA . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 80' ' ' ASN . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.166 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 53.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 51.4 111.093 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.35 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.11 110.923 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.872 0.368 . . . . 73.53 111.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 12' ' ' GLU . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 52.03 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 53.53 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 60.44 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 19' ' ' ILE . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.999 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 63.13 111.105 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.32 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 72.12 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 73.14 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.4 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.653 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 8' ' ' LEU . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 64.04 111.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 72.22 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 52.22 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG2' HD21 ' A' ' 78' ' ' LEU . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 55.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 43.42 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.7 HG13 HD12 ' A' ' 50' ' ' LEU . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 HG13 ' A' ' 46' ' ' VAL . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 41' ' ' LEU . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 65.3 110.941 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 62.44 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 60.03 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 63.23 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 82' ' ' ILE . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.43 111.135 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 43.13 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 62.4 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.938 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 71.33 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 54.33 110.871 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.913 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.35 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 51.31 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.916 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.928 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.547 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.32 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' HH2' ' A' ' 16' ' ' TRP . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.928 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 53.24 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 88' ' ' VAL . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 55.11 111.073 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 8' ' ' LEU . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 70.35 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 84' ' ' VAL . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.03 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.148 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 51.1 111.095 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.547 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 63.03 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.931 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 85' ' ' LEU . 60.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 74.01 111.133 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 12' ' ' GLU . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.431 ' HB2' HD13 ' A' ' 8' ' ' LEU . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 ' CG1' ' A' ' 84' ' ' VAL . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.42 111.136 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 29' ' ' TYR . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 74.44 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 51.34 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.23 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 34' ' ' ILE . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 52.31 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 31' ' ' LEU . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 73.2 111.163 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 65.4 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 53.23 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 51' ' ' LEU . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 52.24 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 43.42 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 50' ' ' LEU . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 64.31 111.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 34.33 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 HG13 ' A' ' 46' ' ' VAL . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 41' ' ' LEU . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.823 HG21 HD13 ' A' ' 82' ' ' ILE . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.136 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 104' ' ' ILE . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 35.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.25 110.86 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.68 HD11 ' CD2' ' A' ' 79' ' ' TYR . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 54.11 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.43 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.54 110.936 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' CZ3' ' A' ' 36' ' ' TRP . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.68 ' CD2' HD11 ' A' ' 68' ' ' LEU . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.823 HD13 HG21 ' A' ' 60' ' ' ILE . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' ' 61' ' ' LEU . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 42.04 111.165 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.044 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 ' CG1' ' A' ' 7' ' ' VAL . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.92 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 62.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 71.31 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 100' ' ' ALA . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 72.15 111.121 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 101' ' ' LEU . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.822 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 42.42 111.149 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.906 HD11 HG22 ' A' ' 97' ' ' THR . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.963 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.498 HD13 HD13 ' A' ' 61' ' ' LEU . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.02 111.159 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 53.23 110.889 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 85' ' ' LEU . 93.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.909 0.385 . . . . 45.3 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 12' ' ' GLU . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.731 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 19' ' ' ILE . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 16' ' ' TRP . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.102 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 33' ' ' HIS . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 51.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 73.33 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.32 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.801 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.43 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 44.3 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.961 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 60.03 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 51' ' ' LEU . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.04 111.185 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 54.53 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 53.23 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 46' ' ' VAL . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD11 HD12 ' A' ' 41' ' ' LEU . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 71.52 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 61.13 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 62.11 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.196 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.2 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 63.4 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.923 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 71.22 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.759 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.98 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 60.05 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.533 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 60.34 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 63.54 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 64.21 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.414 HG23 ' HH2' ' A' ' 16' ' ' TRP . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 72.24 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 78' ' ' LEU . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.801 HG21 ' CE2' ' A' ' 29' ' ' TYR . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.918 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.561 HG11 ' HB3' ' A' ' 12' ' ' GLU . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HE1' HD23 ' A' ' 8' ' ' LEU . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 54.54 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.071 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 64.25 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.43 111.128 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' N ' HG23 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 62.12 110.903 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 70.3 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.907 0.384 . . . . 64.53 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 12' ' ' GLU . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 71.33 110.883 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.157 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 33' ' ' HIS . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 65.15 110.919 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 53.03 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.857 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 62.41 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 84' ' ' VAL . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 54.02 110.936 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HD12 ' A' ' 8' ' ' LEU . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 45.43 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 53.34 110.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 55.22 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 HD12 ' A' ' 50' ' ' LEU . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.127 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 64.34 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 60' ' ' ILE . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 73.32 110.939 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 85' ' ' LEU . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.94 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 63.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 61.11 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 60.2 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.609 HD22 ' HG ' ' A' ' 75' ' ' LEU . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 68' ' ' LEU . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 55.22 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 71.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 65' ' ' GLN . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 54.12 112.476 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 51.54 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.915 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.943 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.48 ' CG ' HG21 ' A' ' 97' ' ' THR . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.915 HD11 HD12 ' A' ' 78' ' ' LEU . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 54.31 111.156 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 88' ' ' VAL . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.123 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 51' ' ' LEU . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.982 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 44.34 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' HD23 ' A' ' 8' ' ' LEU . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 72.44 110.83 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 54.31 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.614 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.137 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 80' ' ' ASN . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 70.25 111.13 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 54.54 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.931 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.078 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 65.42 110.881 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.52 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 61.35 110.861 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 34' ' ' ILE . 66.2 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 64.34 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 12' ' ' GLU . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.938 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 61.31 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CZ3' HD12 ' A' ' 85' ' ' LEU . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.892 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.723 HG21 ' CG1' ' A' ' 84' ' ' VAL . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 54.11 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 29' ' ' TYR . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 62.23 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 72.34 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 65.15 110.924 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.54 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.553 HG23 HG11 ' A' ' 7' ' ' VAL . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 50.31 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.607 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 54.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 46' ' ' VAL . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 61.22 110.945 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.15 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.24 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.644 HG13 HD12 ' A' ' 50' ' ' LEU . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 72.14 111.142 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 54.31 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 44.03 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 21.12 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 85' ' ' LEU . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 50' ' ' LEU . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' HG ' ' A' ' 75' ' ' LEU . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 72.24 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.03 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 64.42 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 55.42 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HG ' HD22 ' A' ' 64' ' ' LEU . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 43.14 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.874 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.11 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 78' ' ' LEU . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.723 ' CG1' HG21 ' A' ' 19' ' ' ILE . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.148 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.968 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 84' ' ' VAL . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 8' ' ' LEU . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 64.01 110.802 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 64.24 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.59 HG22 HG13 ' A' ' 94' ' ' VAL . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.1 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.693 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 42.34 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 43.45 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 61.55 111.166 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.41 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.882 0.373 . . . . 74.23 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 53.24 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 71.22 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.705 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.01 111.167 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 33' ' ' HIS . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 63.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 72.42 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.22 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 52.33 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.935 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 55.13 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.42 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.662 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.04 111.139 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 63.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.662 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 85' ' ' LEU . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 62.35 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.01 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' LEU . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.117 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 53.4 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.21 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 63.34 110.864 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 51.03 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 44.11 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 54.33 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 54.41 110.97 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.92 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.766 ' HB3' HG21 ' A' ' 97' ' ' THR . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.92 HD11 HD12 ' A' ' 78' ' ' LEU . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 88' ' ' VAL . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 65.15 111.201 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.932 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.1 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.893 HG21 ' HB2' ' A' ' 100' ' ' ALA . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 80' ' ' ASN . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 64.51 111.142 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 70.13 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.935 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 73.43 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 16' ' ' TRP . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.877 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 63.52 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 60.12 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 71.53 110.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 74.55 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 51.34 110.893 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 60.41 111.167 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 64.35 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.42 110.894 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 43.31 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 35.54 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.914 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 34' ' ' ILE . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.967 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.41 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 71.11 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 61.11 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 51' ' ' LEU . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 61.34 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 25.14 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 72.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 63.51 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 41' ' ' LEU . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 72.13 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 73.54 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 52.21 110.882 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 62.51 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 75' ' ' LEU . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 63.32 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 73.22 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.949 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.588 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 43.32 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.588 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 70.13 110.906 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 63.24 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.953 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 68' ' ' LEU . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.949 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 97' ' ' THR . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 78' ' ' LEU . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.188 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 44.53 111.084 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 88' ' ' VAL . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 72.43 111.185 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 65.12 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 71.11 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.74 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 71.44 111.137 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 61.12 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 92' ' ' ILE . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 52.43 111.137 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.32 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 80' ' ' ASN . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.148 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 53.22 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 71.51 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.906 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 8' ' ' LEU . 58.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 61.24 111.179 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 12' ' ' GLU . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 14.12 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.725 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 52.43 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.667 ' HA ' HD12 ' A' ' 19' ' ' ILE . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.41 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.97 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 54.12 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 71.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.01 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.895 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.3 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 61.42 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 63.51 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 51' ' ' LEU . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.711 HG13 HD12 ' A' ' 50' ' ' LEU . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 HG13 ' A' ' 46' ' ' VAL . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 41' ' ' LEU . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 63.21 110.887 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 73.01 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.844 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 71.1 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 33.52 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 70.23 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.848 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE2' HD11 ' A' ' 101' ' ' LEU . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' A' ' 97' ' ' THR . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 78' ' ' LEU . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.166 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 60.33 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 84' ' ' VAL . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.086 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.152 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 42.2 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.541 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 63.33 111.131 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.477 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 73.23 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 16' ' ' TRP . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.55 110.904 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 52.2 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 23.3 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.6 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 51.43 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.23 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.903 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.094 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 60.1 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 34' ' ' ILE . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.21 110.935 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CE1' HD21 ' A' ' 21' ' ' LEU . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 72.25 110.847 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.545 HD12 HD23 ' A' ' 31' ' ' LEU . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 52.14 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG2' HD21 ' A' ' 78' ' ' LEU . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 54.42 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.51 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 54.52 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 41' ' ' LEU . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 73.52 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.02 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.498 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 60.34 111.108 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.733 HD22 ' HG ' ' A' ' 75' ' ' LEU . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.908 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.7 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 55.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 65' ' ' GLN . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 61.21 110.993 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 71.22 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.733 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.922 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.934 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HE2' HD11 ' A' ' 101' ' ' LEU . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.676 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 61.42 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.934 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 64.23 111.092 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 51.1 111.162 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' VAL . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.145 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.676 HG21 ' CG ' ' A' ' 80' ' ' ASN . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.133 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.935 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 62.01 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 50.11 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.856 0.36 . . . . 75.13 111.102 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 12' ' ' GLU . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 53.44 110.967 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.728 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.42 111.141 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.699 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.868 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 53.11 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 64.14 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 61.12 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 61.34 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CE2' HG21 ' A' ' 84' ' ' VAL . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.853 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 61.1 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.02 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 64.13 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 64.51 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 60.25 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 63.4 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.959 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 65.13 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.21 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 63.41 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 41' ' ' LEU . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 52' ' ' GLU . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 53.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 55.52 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' A' ' 82' ' ' ILE . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 64.11 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 64.33 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 55.32 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.558 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 62.25 110.841 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 64.25 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 63.41 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 78' ' ' LEU . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 71.42 111.152 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 53.54 111.119 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.72 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.902 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 65.41 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 70.44 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.01 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 100' ' ' ALA . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.162 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.01 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.02 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 80' ' ' ASN . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.15 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.66 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 62.43 111.144 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 41.02 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 55.04 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 12' ' ' GLU . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 54.12 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.696 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 62.21 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 65.52 111.118 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 61.44 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 52.23 110.944 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 62.21 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 60.13 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.724 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.008 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 34' ' ' ILE . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.888 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 51.34 110.802 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 31' ' ' LEU . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 72.32 111.104 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.635 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 51' ' ' LEU . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 63.03 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.137 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 54.11 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.768 HD12 HG13 ' A' ' 46' ' ' VAL . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 41' ' ' LEU . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 32.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' CYS . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.14 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 62.32 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 71.02 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 71.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.593 ' CB ' HD21 ' A' ' 75' ' ' LEU . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 62.13 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 70' ' ' THR . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 69' ' ' GLN . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.154 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 41.44 112.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.903 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.94 HD11 HD12 ' A' ' 78' ' ' LEU . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.15 111.164 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.724 HG21 ' CE2' ' A' ' 29' ' ' TYR . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.922 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 63.1 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 52.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 87' ' ' CYS . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 65.43 111.103 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 71.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 100' ' ' ALA . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 62.02 110.874 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 63.22 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.33 111.088 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 98' ' ' LYS . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 54.45 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.866 0.365 . . . . 74.14 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 85' ' ' LEU . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 62.01 110.874 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 61.31 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 84' ' ' VAL . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 42.24 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 63.04 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 62.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.745 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.33 110.909 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 21' ' ' LEU . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 71.1 110.83 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 53.25 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 53.22 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 51' ' ' LEU . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.1 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.692 HG13 HD12 ' A' ' 50' ' ' LEU . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.692 HD12 HG13 ' A' ' 46' ' ' VAL . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 53.53 110.896 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 HD11 ' A' ' 41' ' ' LEU . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.858 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 61.35 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 31.13 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 61.21 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.23 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CG2' HD13 ' A' ' 82' ' ' ILE . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 58' ' ' ARG . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 62.23 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 65.22 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 71.03 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.93 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 73.45 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.01 110.894 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.616 ' HD2' HD21 ' A' ' 101' ' ' LEU . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 97' ' ' THR . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 78' ' ' LEU . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.52 111.092 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG21 ' CE2' ' A' ' 29' ' ' TYR . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.177 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 HD11 ' A' ' 8' ' ' LEU . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 53.32 110.903 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 62.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.24 111.131 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 52.35 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.34 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.611 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.14 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 80' ' ' ASN . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.123 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 ' HD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 62.1 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.929 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.542 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 64.52 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.594 ' HB2' HD13 ' A' ' 8' ' ' LEU . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 70.21 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 64.53 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 73.03 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.21 110.785 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 71.44 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.899 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 33.24 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 51' ' ' LEU . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.14 111.127 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 44.43 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 46' ' ' VAL . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 63.42 110.835 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.896 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 54.1 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.643 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 62.43 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 57' ' ' CYS . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 62.03 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 75' ' ' LEU . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 62.32 110.908 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.818 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 65' ' ' GLN . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 74.3 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.14 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.58 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.876 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.932 HD12 HD11 ' A' ' 82' ' ' ILE . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 70.12 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.471 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.829 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD11 HD12 ' A' ' 78' ' ' LEU . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 60.31 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 71.45 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 63.44 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 52.24 111.111 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 53.12 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.53 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 100' ' ' ALA . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 80' ' ' ASN . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 51.44 111.143 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 63.43 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.851 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 85' ' ' LEU . 76.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.863 0.363 . . . . 74.54 111.104 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 12' ' ' GLU . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 71.42 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 43.44 110.798 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 52.42 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.935 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 63.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.726 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.073 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.94 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 65.12 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.41 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 53.03 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.14 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG1' HD12 ' A' ' 50' ' ' LEU . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 43.24 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 64.14 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 71.01 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 71.22 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 50' ' ' LEU . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 34.01 111.114 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 43.32 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 73.1 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 61.55 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.34 112.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 64.54 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 42.22 110.913 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.15 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 101' ' ' LEU . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 54.13 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.01 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 70.4 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 78' ' ' LEU . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.726 ' CG1' HG21 ' A' ' 19' ' ' ILE . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.989 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 53.04 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' VAL . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 60.51 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 53.02 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.895 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.13 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 98' ' ' LYS . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 85' ' ' LEU . 43.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.828 0.347 . . . . 33.24 111.165 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 12' ' ' GLU . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.04 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 51.15 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.737 HG21 ' CG1' ' A' ' 84' ' ' VAL . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 33' ' ' HIS . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 53.23 110.964 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 63.14 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.763 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 62.51 110.785 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 16' ' ' TRP . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 72.23 111.068 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.62 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 42.24 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 51' ' ' LEU . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 70.11 110.88 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 72.32 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 45.31 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 46' ' ' VAL . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 61.21 110.95 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 41' ' ' LEU . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HG3' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 54.24 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.474 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 54.41 110.859 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 57' ' ' CYS . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' ARG . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 53.41 110.899 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG ' ' A' ' 75' ' ' LEU . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 70.01 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.03 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.416 ' CB ' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.11 110.859 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.14 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 62.45 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.665 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.931 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.42 110.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' A' ' 97' ' ' THR . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 40.41 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.931 HD11 HD12 ' A' ' 78' ' ' LEU . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.149 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 100' ' ' ALA . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.05 111.082 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.737 ' CG1' HG21 ' A' ' 19' ' ' ILE . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.2 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 100' ' ' ALA . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 80' ' ' ASN . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 42.44 111.209 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.24 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 35.32 111.098 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 60.24 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 62.13 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.897 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.546 -0.222 . . . . 45.03 112.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.41 113.98 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 62.14 111.067 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -101.52 118.22 36.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.859 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.15 126.26 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.093 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.09 79.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.858 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.3 t -78.46 -61.52 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 75.3 111.16 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 85' ' ' LEU . 57.9 mt -122.36 115.92 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.54 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -66.88 -171.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.879 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.39 -50.39 56.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.22 112.485 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.98 70.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 44.33 112.473 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.1 mt-10 -61.14 -30.92 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.359 . . . . 62.33 110.849 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -64.05 -54.76 29.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 65.14 110.905 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -53.82 -52.71 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.918 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -60.72 -38.15 84.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.886 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.587 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.7 t-105 -58.08 -57.91 10.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.212 -0.449 . . . . 72.04 110.912 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -55.59 -26.15 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -52.48 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.923 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.76 143.26 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 64.44 111.113 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.8 156.26 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.831 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.7 mt -71.15 -37.08 72.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.88 159.7 70.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.574 0.702 . . . . 74.51 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -39.73 6.07 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.49 43.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 73.23 112.475 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.83 179.64 26.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.797 -0.716 . . . . 62.43 112.516 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -124.73 26.07 7.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 73.4 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -147.64 142.41 26.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 73.44 110.911 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -94.15 -171.19 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.714 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -85.72 149.25 25.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.947 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -146.6 164.98 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.918 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 34' ' ' ILE . 3.4 mm? -52.28 -29.88 25.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.938 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -51.89 -32.28 31.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.925 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -82.3 -31.87 29.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 117.253 -1.356 . . . . 73.15 110.777 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.58 HD12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -72.46 -37.26 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 119.704 1.138 . . . . 74.43 111.17 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.51 -46.66 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.55 111.158 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 80.0 t90 -52.08 -40.64 61.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 75.35 110.925 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.24 57.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 60.41 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -42.23 74.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.843 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -74.53 -26.31 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 72.33 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -82.48 -25.98 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.909 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD11 HD21 ' A' ' 51' ' ' LEU . 8.5 mt -70.53 -50.46 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 65.33 110.912 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.35 -26.23 39.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.459 . . . . 74.01 110.928 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -71.22 -27.53 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.884 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.09 27.88 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.11 110.897 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.11 21.2 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 73.31 111.08 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG13 HD12 ' A' ' 50' ' ' LEU . 98.4 t -118.1 114.89 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 62.32 111.137 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -60.67 144.25 89.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 74.31 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -12.74 33.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.646 2.231 . . . . 64.45 112.383 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.0 -16.54 66.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.728 . . . . 64.13 112.533 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -73.66 -24.79 60.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 73.11 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD21 HD11 ' A' ' 41' ' ' LEU . 54.9 mt -61.17 -25.49 67.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 53.41 110.888 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -100.43 25.44 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.2 p -133.13 123.55 25.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 74.44 111.183 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 p -57.71 -23.25 50.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.869 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.98 -41.37 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.7 -51.96 51.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 52.32 112.471 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.06 -49.3 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.751 0.31 . . . . 71.15 110.861 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -32.32 48.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.884 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -81.83 -49.43 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 70.01 110.942 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.626 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.63 -37.44 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.151 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.7 mt -71.01 -26.44 63.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 65.52 110.941 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.39 -34.26 87.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 73.0 112.455 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.75 -28.54 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 71.3 110.883 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 75' ' ' LEU . 75.4 mt -84.32 -25.88 28.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.597 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.01 -61.78 3.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 61.5 110.901 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.73 -16.73 37.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 73.1 112.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.549 ' CB ' HD21 ' A' ' 75' ' ' LEU . 66.3 m -83.13 -26.59 30.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 54.12 110.888 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.6 mt -52.23 -30.93 29.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 71.43 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -55.1 -50.83 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.947 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -123.46 43.08 3.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 62.55 111.16 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.593 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -93.56 160.49 24.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.1 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 p -101.53 -172.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 75.22 110.876 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.44 -40.35 71.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 64.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.82 -48.64 71.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.903 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -58.55 -34.61 71.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 54.21 110.906 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -70.44 -53.46 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.82 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -52.08 -35.54 48.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.903 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.908 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -63.52 -57.39 10.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 61.1 110.863 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 6.7 t80 -52.11 -30.31 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.11 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.9 -56.29 7.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 43.34 110.872 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -63.41 -50.96 67.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.127 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HD12 ' A' ' 78' ' ' LEU . 54.7 mt -57.22 -25.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.45 111.091 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -72.68 -54.09 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 65.05 111.118 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 88' ' ' VAL . 86.0 t -60.65 -55.11 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' CD1' HD21 ' A' ' 8' ' ' LEU . 6.7 tp -52.62 -35.49 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 71.53 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -63.88 -57.02 11.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.34 110.966 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 5.4 m -52.01 -31.85 31.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 55.1 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -65.7 -36.97 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.168 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -82.81 -16.17 48.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 117.32 -1.324 . . . . 73.44 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -98.4 25.74 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.613 1.097 . . . . 61.34 110.913 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 56.17 26.2 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.0 mt -96.68 147.26 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 61.01 111.09 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.28 126.04 47.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 61.21 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 100' ' ' ALA . 25.7 m -136.39 179.63 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.42 111.145 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -38.93 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.64 -176.56 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 53.35 110.83 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 74.3 m -78.03 -36.0 49.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.21 111.137 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -54.5 -43.59 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.32 110.871 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.18 -53.26 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -53.91 -39.04 65.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 65.44 111.064 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -57.95 -46.05 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.04 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.92 87.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.853 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -62.83 -32.14 73.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 61.41 110.914 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.06 -31.52 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 73.24 111.15 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.6 -45.4 37.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.854 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -32.77 74.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.896 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.44 -33.74 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 65.43 110.861 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.21 -28.41 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.906 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -54.09 -31.83 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.843 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -68.82 -40.43 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.43 110.923 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.0 t -59.6 -34.94 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 61.5 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -68.97 -43.35 75.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 74.1 110.901 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -29.78 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 63.45 110.9 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -82.68 -32.96 27.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.906 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.0 25.3 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 75.15 111.107 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -158.47 34.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 65.34 110.941 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.93 -34.77 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.54 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.62 -29.99 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.32 111.119 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.37 50.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 64.12 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -146.96 56.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.41 111.112 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.12 26.99 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 p -67.6 129.14 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 51.23 111.166 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.1 -107.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 73.44 112.489 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -58.0 159.25 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 75.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.69 141.94 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 72.01 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -175.9 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 61.33 110.854 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -107.55 145.03 33.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 65.1 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.6 p -171.02 142.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.34 111.143 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 55.3 p -66.35 164.22 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 53.35 110.893 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -165.57 161.37 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.913 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -141.28 56.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 75.45 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.93 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.441 ' H46' HD23 ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 45.03 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.36 47.21 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.333 . . . . 52.02 111.07 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.34 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 54.54 111.09 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.65 109.13 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 55.41 110.896 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.9 t -82.2 -64.27 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 74.01 111.187 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.7 mt -117.41 119.67 35.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -69.21 -171.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.33 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.38 57.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.723 . . . . 63.2 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.34 -45.75 76.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.524 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -62.44 -28.5 69.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 72.02 110.85 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -66.54 -54.2 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.93 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -51.54 56.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 75.54 110.896 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -62.17 -38.96 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.929 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.665 ' HB2' HD13 ' A' ' 8' ' ' LEU . 73.6 t-105 -58.83 -58.67 7.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.895 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -55.97 -25.98 46.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.888 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -52.86 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 63.04 110.857 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.659 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.2 mt -51.79 143.77 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 70.34 111.127 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -107.68 156.0 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 75.3 110.898 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.2 mt -70.26 -26.4 63.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.93 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -143.01 159.76 55.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.645 0.736 . . . . 63.33 110.88 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -39.43 6.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 71.4 112.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.43 36.82 3.93 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.782 . . . . 64.22 112.507 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.92 179.4 39.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 62.12 112.496 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -123.17 25.95 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 64.21 110.935 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -151.85 152.96 33.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.949 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -102.26 -171.92 2.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.54 110.929 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.585 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.68 151.09 24.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.2 110.906 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.22 169.47 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 60.15 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.97 -27.24 42.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.45 110.945 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -34.13 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.914 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.686 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.8 m80 -82.14 -32.71 29.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 117.391 -1.29 . . . . 72.24 110.871 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.42 -37.1 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 119.678 1.126 . . . . 63.45 111.124 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.15 -41.71 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.609 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -57.43 -43.88 84.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 70.44 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.11 -26.19 64.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 62.44 111.059 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.2 m -69.0 -43.69 74.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 62.44 110.831 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.07 79.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 63.13 110.817 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -70.94 -26.23 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 71.51 110.917 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.733 HD12 HD11 ' A' ' 51' ' ' LEU . 8.5 mt -67.71 -55.3 13.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.901 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -27.05 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -67.96 -28.96 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -96.03 27.85 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.24 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.58 12.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 52.44 111.087 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.679 HG13 HD12 ' A' ' 50' ' ' LEU . 97.7 t -118.12 115.06 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 53.41 111.154 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.92 144.91 96.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 75.23 110.83 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -13.34 34.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 74.11 112.389 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.11 -16.13 61.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.663 -0.78 . . . . 61.32 112.495 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD12 HG13 ' A' ' 46' ' ' VAL . 51.7 mt -74.41 -24.61 59.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 65.01 110.915 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 41' ' ' LEU . 6.4 mt -61.76 -25.06 67.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.919 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.33 25.34 7.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.851 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 p -134.02 123.11 24.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 43.55 111.125 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -57.95 -23.0 51.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.841 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -84.94 -44.67 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.07 -51.35 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 75.14 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.04 -44.96 64.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 43.21 110.885 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -55.81 -36.14 67.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -78.46 -44.1 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.928 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.664 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.6 mt -58.6 -37.64 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.145 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.39 -26.21 51.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.947 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.25 -19.9 74.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.733 . . . . 52.53 112.503 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -93.87 -26.45 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 74.31 110.896 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.742 HD22 ' HG ' ' A' ' 75' ' ' LEU . 73.6 mt -90.74 -25.93 19.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 73.31 110.948 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 -52.1 -61.73 4.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 73.13 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.75 -16.79 37.75 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.645 2.23 . . . . 72.14 112.391 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.07 26.8 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.894 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.01 -35.38 37.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 61.33 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -37.63 58.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.0 p -99.79 27.4 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 65.13 111.093 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.68 174.57 26.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.77 -0.729 . . . . 75.03 112.523 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.8 p -122.25 -172.26 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 75.5 110.842 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -53.11 -37.5 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 74.33 110.857 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -70.75 -56.39 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.93 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.742 ' HG ' HD22 ' A' ' 64' ' ' LEU . 5.1 tt -54.1 -42.84 69.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 62.42 110.89 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -59.61 -59.62 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m -52.33 -36.27 52.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 71.2 110.839 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.968 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -59.66 -57.68 11.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.938 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CD2' HD21 ' A' ' 101' ' ' LEU . 30.6 t80 -53.3 -29.45 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.953 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.506 ' CG ' HG21 ' A' ' 97' ' ' THR . 6.2 m-20 -70.46 -57.3 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 70.31 110.859 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -63.19 -51.55 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 73.42 111.174 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.968 HD11 HD12 ' A' ' 78' ' ' LEU . 59.5 mt -55.49 -26.37 19.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.14 111.2 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.98 -61.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 25.14 111.076 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 88' ' ' VAL . 82.1 t -51.7 -37.89 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.067 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 51' ' ' LEU . 6.0 tp -68.17 -49.62 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -52.43 -50.48 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.7 m -52.13 -30.27 25.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.483 . . . . 74.31 110.877 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 84' ' ' VAL . 22.0 t -73.03 -40.83 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 43.14 111.164 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.421 ' HE1' HD23 ' A' ' 8' ' ' LEU . 8.9 m-70 -78.26 -12.25 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 117.283 -1.341 . . . . 63.43 110.741 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -72.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 119.684 1.129 . . . . 71.54 110.931 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -36.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.907 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.568 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -52.25 132.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.12 111.117 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -121.79 65.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 64.34 110.827 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.651 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.3 m -63.48 171.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -103.77 -26.27 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.908 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.7 -176.39 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.868 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.506 HG21 ' CG ' ' A' ' 80' ' ' ASN . 51.7 m -75.57 -33.94 60.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 70.12 111.131 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -61.17 -51.83 67.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.04 -44.94 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 72.1 110.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -59.8 -26.34 65.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.52 111.064 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -76.01 -52.42 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.901 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.88 -30.19 61.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.821 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -60.66 2.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.934 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.4 mt -56.75 -28.83 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 64.14 111.059 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.65 -56.11 6.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.46 -34.49 72.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 71.55 110.93 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.79 -30.2 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.53 110.874 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -89.56 -29.86 18.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.929 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.6 -33.18 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -35.6 81.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 73.1 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.56 -39.2 32.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.891 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -44.2 93.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.888 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -56.55 -40.39 75.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.872 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.889 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.85 69.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 74.01 111.128 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -72.43 -66.91 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 70.01 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 54.46 27.43 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.82 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 70.31 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -97.9 25.44 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 50.04 111.162 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -105.64 -26.01 12.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 70.44 111.101 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -109.6 70.11 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.32 110.865 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.7 p -56.66 152.69 11.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.193 -0.458 . . . . 71.15 111.166 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.25 147.95 18.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 75.3 112.451 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.81 140.69 6.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.33 . . . . 74.2 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -67.04 160.36 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 63.12 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 p -121.76 155.01 36.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.806 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -81.57 -175.31 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.2 111.045 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -109.5 143.25 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.9 m -105.59 166.24 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.864 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -132.94 46.38 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.53 160.1 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.14 110.93 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.973 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.544 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 63.11 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.43 176.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 65.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -103.14 -175.91 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 75.41 110.925 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.576 ' HB1' HG23 ' A' ' 7' ' ' VAL . . . -141.74 -46.3 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 73.22 111.101 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m 54.39 37.06 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.843 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' HB1' ' A' ' 5' ' ' ALA . 49.7 t -88.55 -62.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.3 111.113 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.4 mt -114.99 126.25 54.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -75.36 -171.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.879 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.45 56.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.467 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.76 -46.42 75.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.443 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.695 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.6 mt-10 -61.8 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 75.11 110.923 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 tp -65.17 -54.23 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.874 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -52.04 -50.84 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -64.35 -39.02 93.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.851 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' HB2' HD13 ' A' ' 8' ' ' LEU . 70.3 t-105 -58.62 -58.34 8.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.894 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -56.36 -26.03 51.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.13 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.64 -52.42 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.983 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.3 mt -51.81 143.79 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.094 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -107.21 156.53 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 70.44 110.877 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -71.28 -26.79 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 70.04 110.936 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.73 159.73 56.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.731 . . . . 75.51 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -41.05 4.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 74.25 112.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 48.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 71.13 112.506 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.61 -174.77 23.13 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.642 -0.789 . . . . 72.24 112.461 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.85 26.07 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 74.23 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 147.84 28.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 75.12 110.884 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -99.14 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.944 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.646 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -86.17 150.48 24.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -151.16 168.17 25.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 71.41 110.904 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -54.43 -27.21 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 74.23 110.955 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -51.97 -30.08 23.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.857 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.6 m80 -86.41 -33.56 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 117.291 -1.338 . . . . 74.11 110.785 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.29 -42.7 57.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 119.71 1.141 . . . . 51.25 111.155 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.4 t -66.52 -52.55 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.14 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.617 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.8 t90 -52.18 -42.46 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.98 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.149 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -69.91 -42.71 73.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.817 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -68.34 -37.93 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.821 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -26.12 58.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 HD11 ' A' ' 51' ' ' LEU . 8.2 mt -68.84 -54.01 18.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 53.3 110.879 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.71 39.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -28.5 66.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.816 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.07 28.12 3.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 72.03 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 21.08 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.082 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 50' ' ' LEU . 97.4 t -117.98 114.83 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.162 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -62.97 144.98 96.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.63 0.729 . . . . 75.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -13.04 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 60.42 112.345 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.13 -16.34 62.05 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.853 -0.689 . . . . 24.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 46' ' ' VAL . 53.1 mt -74.81 -24.61 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 64.14 110.941 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.7 HD11 HD12 ' A' ' 41' ' ' LEU . 6.9 mt -62.05 -24.99 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.03 110.94 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.03 25.18 7.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.887 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -134.13 123.02 23.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 71.14 111.175 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 p -57.84 -23.03 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.875 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.84 -45.63 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.14 110.875 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.43 -50.18 69.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 55.34 112.511 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -36.7 52.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.765 0.317 . . . . 63.22 110.895 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -41.09 83.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.912 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.93 -42.65 80.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 70.44 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.649 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -58.36 -37.54 64.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.104 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.63 -26.18 59.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.974 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.75 73.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 41.34 112.565 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -96.27 -26.17 15.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 75.51 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' A' ' 75' ' ' LEU . 91.6 mt -89.68 -25.95 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.906 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 8.7 mt-30 -52.03 -61.69 4.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.56 0.695 . . . . 73.54 110.98 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.76 -16.85 37.73 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 70.05 112.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.15 26.59 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.893 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.3 mt -82.3 -34.9 28.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 54.42 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -66.5 -57.71 6.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.964 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.5 p -95.49 31.4 2.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 70.34 111.171 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -91.11 128.89 9.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.474 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -178.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 72.2 110.879 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.5 -52.72 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.1 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 78' ' ' LEU . 38.5 mt-10 -55.03 -38.95 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.741 HD13 ' HA2' ' A' ' 71' ' ' GLY . 1.3 tt -59.75 -49.39 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 73.45 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -56.99 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.921 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -37.14 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.854 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 82' ' ' ILE . 1.1 mm? -62.0 -61.03 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -55.5 -26.28 41.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.884 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.677 ' OD1' HG21 ' A' ' 97' ' ' THR . 2.1 t30 -71.47 -37.46 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.34 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.6 m -85.47 -53.91 4.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 75.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.929 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.82 -30.05 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 75.2 111.14 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.64 -52.44 45.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 50.03 111.139 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.2 t -64.0 -38.11 81.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 60.45 111.139 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.2 -51.35 61.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.847 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -52.11 -50.18 62.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.881 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 91.7 m -51.91 -30.17 23.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.92 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -73.11 -41.67 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 63.15 111.107 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.406 ' HE1' HD23 ' A' ' 8' ' ' LEU . 10.5 m-70 -77.69 -17.21 57.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 117.341 -1.314 . . . . 72.14 110.815 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -92.57 -73.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 119.681 1.128 . . . . 42.25 110.92 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.28 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.913 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.776 HG22 HG13 ' A' ' 94' ' ' VAL . 2.8 mp -52.08 125.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.125 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -114.93 64.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.867 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.776 HG13 HG22 ' A' ' 92' ' ' ILE . 19.5 m -67.08 156.96 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 71.43 111.095 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -26.05 20.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.878 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -138.61 -178.58 5.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 65.2 110.858 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.677 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -73.3 -40.95 64.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 72.04 111.151 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -52.09 59.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.883 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.32 -37.41 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.11 110.784 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -63.49 -48.95 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 53.24 111.135 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.04 -33.99 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 61.23 110.874 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -69.41 -39.54 77.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 51.05 110.905 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.81 -44.01 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.897 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.19 -28.14 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 72.22 111.072 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -78.86 -48.92 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.68 -42.13 83.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.836 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -58.19 -34.79 70.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.885 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.953 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -53.77 -42.54 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -27.18 44.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.899 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.93 -40.85 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.83 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -53.37 -31.88 46.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 63.31 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -26.83 20.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 63.1 110.904 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -96.9 28.73 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.411 . . . . 65.15 110.932 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -143.86 26.55 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 63.52 111.176 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -123.13 -70.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.969 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.83 34.13 15.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 62.34 110.939 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -176.51 -44.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.54 111.062 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.98 27.55 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.135 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -109.09 -28.25 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.41 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -71.61 -37.83 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.896 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.23 155.4 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.22 111.128 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.23 130.06 50.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 73.31 112.492 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.75 138.46 32.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.801 0.334 . . . . 74.03 110.94 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -62.02 136.97 58.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.51 110.871 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 p -135.12 -176.02 4.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.876 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -91.81 -172.66 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -83.97 146.12 7.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 62.1 111.117 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 p -88.65 160.12 17.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.92 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -73.76 179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.917 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.95 167.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.874 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 71.13 110.959 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 73.33 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.81 -42.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 72.32 111.15 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 158.73 15.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.87 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.2 126.39 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.095 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.92 99.11 8.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.194 -0.457 . . . . 65.23 110.907 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 t -82.11 -64.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 53.52 111.133 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 12' ' ' GLU . 96.0 mt -118.39 122.62 43.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.912 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -71.61 -172.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 53.25 110.784 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.5 -50.43 56.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 72.22 112.482 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.38 -46.86 74.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.692 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt-10 -61.29 -31.43 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 75.03 110.92 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.2 tp -64.14 -55.4 22.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 64.23 110.912 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -51.98 -49.77 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.829 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -40.63 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.43 110.907 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.694 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -55.09 -54.65 40.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 75.3 110.903 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.65 -25.98 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 73.41 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -49.65 18.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.914 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.74 141.32 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.45 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -103.76 153.5 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 71.44 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -72.29 -36.39 68.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 73.22 110.857 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.04 147.82 65.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.632 0.729 . . . . 72.21 110.841 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -33.36 17.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.74 2.293 . . . . 74.13 112.382 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.38 -46.75 5.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.704 -0.76 . . . . 65.21 112.485 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.12 171.42 2.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.745 . . . . 33.2 112.491 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.87 26.16 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 74.21 110.875 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.12 149.83 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.905 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 175.45 5.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 72.25 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -85.06 150.52 24.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.912 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -150.28 168.2 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.5 110.881 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 34' ' ' ILE . 4.5 mm? -54.06 -27.7 34.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.923 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -33.92 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.902 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.66 ' CE1' HD21 ' A' ' 21' ' ' LEU . 17.6 m80 -82.09 -32.46 30.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 117.369 -1.301 . . . . 64.21 110.884 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 31' ' ' LEU . 58.2 mt -72.3 -37.53 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.603 1.092 . . . . 63.3 111.096 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.25 -39.15 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 64.03 111.096 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.2 t90 -62.74 -46.77 86.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 62.12 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 65.11 111.031 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 m -68.18 -41.05 82.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 51.3 110.823 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -44.51 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.891 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.83 -26.14 65.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 51' ' ' LEU . 8.3 mt -68.11 -55.76 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.955 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.61 -27.2 37.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.912 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -29.26 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.873 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.96 27.98 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.14 21.58 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.25 111.071 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.675 HG13 HD12 ' A' ' 50' ' ' LEU . 98.1 t -118.2 114.78 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.431 . . . . 70.24 111.068 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.32 145.01 97.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 73.14 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -12.94 34.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 61.54 112.353 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.25 -15.98 61.81 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 61.12 112.523 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD12 HG13 ' A' ' 46' ' ' VAL . 50.7 mt -74.82 -23.69 58.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 71.42 110.877 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 41' ' ' LEU . 12.2 mt -63.91 -24.39 67.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.93 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -100.0 25.12 7.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.54 110.876 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -135.05 123.48 23.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.093 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -23.38 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.809 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.22 -48.43 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.42 110.835 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.06 -53.08 47.29 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.461 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.18 -33.24 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 63.43 110.903 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -69.91 -37.49 75.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -74.64 -44.48 50.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.654 HG22 HD13 ' A' ' 82' ' ' ILE . 54.7 mt -53.06 -37.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.11 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.3 -27.54 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.88 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.78 -31.55 80.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 70.45 112.511 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -28.8 28.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 64.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' H41' ' A' ' 300' ' ' PC8 . 51.7 mt -83.95 -25.95 29.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.927 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.9 mt-30 -51.95 -61.72 4.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.565 0.698 . . . . 74.31 110.904 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.84 37.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.7 2.267 . . . . 74.24 112.251 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.3 m -83.07 -26.61 30.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 73.41 110.864 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -53.01 -31.57 41.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 73.5 110.842 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -54.01 -45.39 71.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 72.13 110.916 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.54 44.36 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.725 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -92.0 167.53 30.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.477 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.5 p -106.2 -172.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.759 0.314 . . . . 65.12 110.899 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -45.11 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.926 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -65.71 -37.69 87.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 71.35 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD22 ' HA3' ' A' ' 71' ' ' GLY . 3.4 tt -63.68 -30.13 71.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 62.05 110.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -52.05 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 70.31 110.884 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -39.11 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.869 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.896 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -60.09 -57.89 10.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 71.33 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.0 t80 -52.52 -33.48 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 74.35 110.969 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -66.72 -57.49 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -62.23 -54.41 41.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 74.32 111.15 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.896 HD11 HD12 ' A' ' 78' ' ' LEU . 54.9 mt -51.96 -34.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.21 111.166 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -63.41 1.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 73.32 111.117 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 73.3 t -51.82 -48.79 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 62.35 111.095 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.9 -43.33 86.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 62.34 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -57.02 -56.79 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.925 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.94 -39.64 59.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 70.23 110.902 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.0 t -58.05 -37.91 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 42.21 111.113 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HE1' HD23 ' A' ' 8' ' ' LEU . 13.1 m-70 -84.84 -14.69 47.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.325 -1.321 . . . . 63.41 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 26.01 6.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 119.652 1.114 . . . . 72.25 110.894 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 61.28 41.87 12.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 74.35 110.805 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.5 mt -126.56 143.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.169 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -131.69 120.66 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.03 110.832 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -121.09 172.94 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.12 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -99.0 -27.5 13.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -142.51 -177.48 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 51.55 110.808 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -76.13 -34.22 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.118 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.479 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.83 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 72.03 110.911 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -52.47 65.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 71.3 110.873 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.16 -47.43 83.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 52.23 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 98' ' ' LYS . 20.3 mt -54.2 -35.63 62.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.897 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -67.36 -36.25 80.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -37.55 73.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.1 -50.33 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 62.23 111.176 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -53.4 -41.37 65.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.894 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.35 -45.32 91.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.837 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -33.39 71.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 70.01 110.915 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -78.51 -41.2 33.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.31 -44.2 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.914 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -39.81 95.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 61.51 110.902 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.35 -30.24 71.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 62.44 110.906 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -34.62 43.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 44.35 110.943 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -75.83 -28.34 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 71.2 110.871 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -69.27 -32.47 71.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.916 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.97 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 62.53 111.065 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -105.43 30.34 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.933 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -28.59 69.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.878 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.78 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 31.45 111.099 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -111.87 59.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 55.53 111.071 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.65 64.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.82 42.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 65.34 110.851 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.59 176.71 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.125 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.15 139.34 40.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 64.53 112.451 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -135.09 -175.06 3.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 75.42 110.866 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -139.67 124.01 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 52.33 110.904 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.17 165.42 35.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 42.25 110.788 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.0 129.81 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 62.3 110.932 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.55 117.57 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.4 111.119 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.39 153.89 42.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 32.43 110.861 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -84.14 171.85 12.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.12 110.851 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -119.39 167.59 11.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.9 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 73.03 110.91 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.508 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.448 -0.261 . . . . 73.24 112.448 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.59 25.2 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 72.24 111.174 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -124.29 -61.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.85 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.96 102.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 54.05 111.089 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.04 98.89 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.407 . . . . 74.13 110.913 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 52.9 t -84.47 -65.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 62.03 111.087 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' TRP . 63.5 mt -114.85 114.8 26.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.899 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -65.76 -171.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -50.5 56.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.24 -46.45 79.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.478 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.528 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.5 mt-10 -61.86 -30.91 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 71.1 110.86 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.18 -53.75 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.897 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -52.82 -52.3 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.859 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -62.49 -40.4 96.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.655 ' HA ' HD12 ' A' ' 19' ' ' ILE . 69.1 t-105 -55.82 -55.31 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 74.13 110.932 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -57.69 -26.14 61.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.868 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -50.77 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.898 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.687 HG21 ' CG1' ' A' ' 84' ' ' VAL . 5.1 mt -51.68 140.81 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 51.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 158.33 16.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 53.52 110.844 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 1.7 mt -75.03 -41.13 59.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.6 159.7 42.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 71.41 110.881 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -33.24 16.89 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 73.42 112.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.27 56.63 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 53.4 112.487 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.15 -169.42 18.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.21 112.537 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -130.02 26.5 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 70.04 110.934 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.01 137.96 25.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.869 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -95.01 -171.62 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 44.55 110.909 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 2.5 m-85 -85.61 149.94 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.868 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -148.13 167.13 25.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 74.44 110.938 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 34' ' ' ILE . 4.1 mm? -52.82 -29.28 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -51.92 -31.87 30.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.903 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.5 m80 -83.06 -32.91 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.33 -1.319 . . . . 60.44 110.773 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 31' ' ' LEU . 39.3 mt -71.37 -37.11 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 119.67 1.123 . . . . 72.24 111.197 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.84 -41.86 32.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 44.15 111.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.8 t90 -56.29 -50.06 72.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.73 -28.61 69.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.131 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -44.15 92.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.861 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -68.16 -42.33 80.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.13 110.843 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.0 -26.37 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 64.34 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 51' ' ' LEU . 8.8 mt -67.63 -55.73 12.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.882 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -54.64 -27.16 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.1 110.899 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -29.27 68.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.01 110.873 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.99 28.02 3.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.73 12.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.107 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.1 114.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 65.23 111.124 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.92 144.8 96.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.558 0.694 . . . . 53.43 110.844 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.87 33.84 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.687 2.258 . . . . 61.53 112.384 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.53 -16.08 62.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 72.51 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 46' ' ' VAL . 51.3 mt -74.65 -23.39 58.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 74.03 110.916 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 41' ' ' LEU . 9.3 mt -63.75 -24.44 67.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.1 110.947 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -100.34 25.32 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.861 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -135.02 123.24 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.51 111.188 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -23.33 50.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.811 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -47.84 10.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.1 110.888 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.38 -48.94 62.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 62.44 112.489 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -45.1 64.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.362 . . . . 75.04 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -58.92 -36.78 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.1 110.903 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -48.94 22.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.3 110.895 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 57.7 mt -53.81 -37.8 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 65.32 111.124 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.77 -26.25 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 70.43 110.883 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.39 -21.44 74.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.506 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.65 -28.37 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 72.32 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD11 ' H48' ' A' ' 300' ' ' PC8 . 27.3 mt -88.02 -25.85 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.945 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 9.2 mt-30 -52.05 -61.71 4.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 62.52 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.79 -16.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 74.25 112.383 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -101.79 26.8 7.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.812 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.78 -32.28 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 60.44 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -44.71 38.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.901 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.5 p -95.54 30.79 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 62.34 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -106.55 162.62 13.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.756 -0.735 . . . . 62.24 112.466 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 p -112.34 -171.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 72.24 110.865 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -35.66 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.905 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.13 -48.74 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.872 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.32 -50.86 69.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.911 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -51.04 64.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.817 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 m -55.62 -40.58 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 71.34 110.896 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -60.73 -57.35 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 71.21 110.945 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -52.68 -29.51 26.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.56 ' CB ' HG21 ' A' ' 97' ' ' THR . 1.3 m-80 -70.31 -55.99 7.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.0 m -64.16 -54.12 38.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.124 -0.489 . . . . 54.34 111.114 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.914 HD11 HD12 ' A' ' 78' ' ' LEU . 58.3 mt -52.38 -30.61 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 64.24 111.142 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.41 -62.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.05 111.123 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 88' ' ' VAL . 70.6 t -51.8 -38.03 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.4 tp -65.37 -51.25 61.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 45.53 110.958 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.08 -50.35 61.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.967 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.9 m -52.11 -30.09 24.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.853 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 84' ' ' VAL . 23.4 t -74.86 -37.34 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.03 111.153 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -82.71 -8.63 59.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.331 -1.318 . . . . 75.12 110.833 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -102.46 -74.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.689 1.131 . . . . 74.22 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.09 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.84 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.648 HG22 HG13 ' A' ' 94' ' ' VAL . 4.0 mp -52.38 138.2 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.54 111.122 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -122.76 56.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.911 HG21 ' HB2' ' A' ' 100' ' ' ALA . 32.1 m -58.47 156.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.165 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -42.88 11.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 175.19 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 75.21 110.852 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 80' ' ' ASN . 18.7 m -69.43 -37.63 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.166 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -55.58 -52.8 62.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 75.15 110.924 179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -56.18 -37.96 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 53.55 110.982 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.02 -25.32 66.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 51.4 111.093 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 98' ' ' LYS . 11.4 mt -79.22 -46.63 17.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 71.44 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -60.3 -31.86 70.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -53.48 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.995 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.4 mt -63.69 -31.26 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 62.35 111.117 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -73.85 -46.15 46.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.11 110.923 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -66.56 -26.46 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 62.45 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -70.99 -30.67 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.855 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -94.39 -26.73 16.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.959 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.56 -44.28 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 74.52 110.851 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -52.84 -32.18 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.872 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -39.46 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.855 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -28.02 67.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.883 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.54 58.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.887 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.34 28.46 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 65.51 110.931 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -141.13 33.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 65.24 111.071 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 27.06 9.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 71.21 110.925 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.96 -37.01 86.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 63.34 110.846 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.26 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 61.35 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.51 76.87 9.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 54.02 111.099 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.89 -50.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 63.23 111.082 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -81.84 90.93 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.12 179.37 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 51.42 111.148 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.07 -23.0 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 71.23 112.526 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.81 179.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 74.34 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -58.77 108.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 51.03 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 176.59 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 70.53 110.793 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.93 154.22 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.935 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.42 137.56 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.074 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.7 p -157.49 152.47 25.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.786 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -53.28 153.76 3.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 71.2 110.926 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -62.1 147.26 48.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 62.34 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.182 -0.463 . . . . 62.45 110.954 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.497 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.506 -0.238 . . . . 45.03 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.92 118.98 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 54.02 111.094 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -123.71 77.71 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 64.2 110.836 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.81 100.12 2.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 54.13 111.119 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.95 112.75 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 71.14 110.867 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -83.04 -64.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 12' ' ' GLU . 60.3 mt -116.25 119.73 36.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.17 -173.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 52.03 110.829 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.28 -50.37 56.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 53.53 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.07 -49.62 70.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 60.44 112.498 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.3 mt-10 -59.57 -40.02 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 74.32 110.871 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 13' ' ' LEU . 5.0 tt -58.26 -34.95 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.96 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.71 -61.66 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -61.96 -30.28 70.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.22 110.884 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 19' ' ' ILE . 58.4 t-105 -62.54 -53.18 58.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 71.4 110.999 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.31 -25.91 64.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.848 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.959 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.2 mt -51.73 143.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 63.13 111.105 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -107.63 152.53 24.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.87 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.9 mt -67.13 -40.35 86.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.892 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -123.33 156.06 64.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 73.34 110.84 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -33.27 17.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.265 . . . . 74.32 112.354 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.68 -19.59 9.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 75.43 112.543 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.22 168.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 72.12 112.514 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -119.17 26.03 9.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.876 0.369 . . . . 73.14 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -128.21 126.79 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 70.22 110.897 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.28 -179.39 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 71.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.3 m-85 -83.96 150.93 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.915 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.16 166.38 30.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 62.4 110.903 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.49 -28.41 30.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.886 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -30.06 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.53 110.885 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.653 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.5 m80 -85.55 -32.58 22.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 117.311 -1.328 . . . . 73.04 110.776 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD11 HD12 ' A' ' 8' ' ' LEU . 60.7 mt -72.96 -37.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.647 1.112 . . . . 64.04 111.064 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.52 -37.72 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 72.22 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 82.7 t90 -62.57 -41.87 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.37 -25.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.4 111.085 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -68.89 -39.15 79.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 52.22 110.886 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.51 -26.69 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 72.34 110.907 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG2' HD21 ' A' ' 78' ' ' LEU . 4.3 tp10 -81.95 -26.09 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 71.42 110.877 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.2 mt -68.89 -50.56 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 55.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -26.03 41.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.899 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -27.16 62.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.854 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -96.0 28.19 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.901 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.97 20.87 12.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 43.42 111.101 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.7 HG13 HD12 ' A' ' 50' ' ' LEU . 97.9 t -118.14 114.87 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.01 111.13 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 144.47 93.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.675 0.75 . . . . 70.05 110.862 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.61 31.23 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.713 2.275 . . . . 74.41 112.334 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.01 -16.41 66.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 64.4 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.7 HD12 HG13 ' A' ' 46' ' ' VAL . 49.7 mt -75.08 -24.68 58.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 73.34 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 41' ' ' LEU . 94.1 mt -62.39 -25.25 67.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 65.3 110.941 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -99.33 24.76 7.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.92 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 p -134.48 123.16 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 62.44 111.182 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -23.12 51.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.868 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.64 -46.63 11.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.863 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.31 -49.59 63.31 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 60.03 112.477 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.28 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 71.21 110.871 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -66.58 -34.07 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.952 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -76.56 -46.67 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 63.23 110.92 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 82' ' ' ILE . 56.3 mt -53.75 -37.46 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 72.43 111.135 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.09 -26.08 63.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.963 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.07 -31.9 80.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.806 -0.711 . . . . 43.13 112.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -28.76 34.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.341 . . . . 62.4 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.593 HD11 ' H48' ' A' ' 300' ' ' PC8 . 88.0 mt -85.21 -25.79 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.938 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.642 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -51.99 -61.71 4.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.597 0.713 . . . . 71.33 110.913 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 52.8 Cg_endo -69.8 -16.67 37.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.717 2.278 . . . . 74.3 112.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.31 -26.48 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 54.33 110.871 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.7 mt -52.12 -32.23 34.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 61.41 110.913 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -54.79 -49.46 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 70.35 110.905 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -123.51 44.41 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.35 111.118 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.74 163.09 19.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 63.21 112.457 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.3 p -106.13 -172.09 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 73.52 110.883 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.08 -49.85 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.856 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.86 -41.81 67.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 51.31 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -62.81 -44.33 96.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.916 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -47.98 83.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.89 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -54.69 -40.32 69.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.856 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.928 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -63.25 -57.19 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 63.51 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.547 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.6 t80 -52.04 -31.02 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 54.32 110.914 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -69.85 -57.43 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.946 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.406 HG23 ' HH2' ' A' ' 16' ' ' TRP . 30.5 m -61.69 -54.98 35.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.2 111.123 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.928 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.78 -29.14 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.089 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.45 -64.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 53.24 111.058 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 88' ' ' VAL . 92.8 t -51.77 -43.86 35.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 55.11 111.073 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 8' ' ' LEU . 3.4 tp -60.6 -42.43 96.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 70.35 110.964 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -56.87 -56.66 18.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.943 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -51.98 -38.55 57.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 84' ' ' VAL . 88.1 t -59.58 -38.52 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.24 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -80.45 -18.24 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 117.277 -1.344 . . . . 73.03 110.805 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -96.82 25.93 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 119.675 1.125 . . . . 70.14 110.865 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.95 36.93 24.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 61.42 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.9 mt -114.08 143.52 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -125.69 108.12 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.866 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.3 m -108.87 168.53 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 73.13 111.148 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.24 -36.66 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.928 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.62 172.0 13.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.894 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 87.2 m -59.21 -37.9 78.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 72.53 111.161 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -64.43 -44.71 90.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -33.48 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 71.55 110.893 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -77.39 -37.57 51.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 51.1 111.095 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.547 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -63.27 -44.05 96.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 63.03 110.934 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.23 -32.61 64.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.849 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -71.03 -44.15 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.955 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.92 -40.78 81.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.25 111.109 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -68.42 -45.55 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.931 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -43.67 98.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.924 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.62 -45.95 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 64.02 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -40.1 78.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.878 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -55.71 -33.68 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.851 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -44.13 92.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.801 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -53.33 -44.14 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 55.14 110.815 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -61.92 -44.64 96.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 55.12 110.856 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -26.39 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 71.11 110.882 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.69 -26.41 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 63.54 110.884 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -108.03 33.84 3.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 74.45 111.147 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.51 -28.32 60.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.876 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.35 -32.89 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.924 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.61 -26.09 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 64.13 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.23 44.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 71.32 111.101 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -177.75 -170.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.082 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.8 t70 63.11 29.8 16.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 60.01 110.854 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.0 t -127.44 150.47 49.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.175 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -65.52 128.48 32.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 74.55 112.454 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -119.25 173.79 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 65.13 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.63 158.19 16.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.859 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -86.44 176.67 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.68 168.63 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 6.9 p -110.77 132.8 58.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.33 111.143 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 156.79 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.912 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -90.7 148.39 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 63.42 110.918 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -173.87 128.11 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.85 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.9 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.593 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.497 -0.241 . . . . 45.03 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.34 132.62 56.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 41.1 111.06 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -152.11 56.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.41 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.33 176.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 53.53 111.106 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.09 164.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.41 110.891 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 85' ' ' LEU . 60.4 t -91.18 -62.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.01 111.133 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 12' ' ' GLU . 58.7 mt -116.82 120.75 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.4 110.905 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 p -70.45 -174.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.15 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.23 -50.39 56.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.774 -0.727 . . . . 73.53 112.477 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.91 -49.54 71.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 74.01 112.465 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.2 mt-10 -59.77 -39.91 86.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 74.24 110.904 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.8 tt -58.87 -35.75 73.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.917 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -60.05 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.891 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -62.22 -39.03 91.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.907 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.431 ' HB2' HD13 ' A' ' 8' ' ' LEU . 55.9 t-105 -53.3 -50.67 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.25 110.901 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.87 -25.88 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.52 110.83 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.77 -46.31 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 ' CG1' ' A' ' 84' ' ' VAL . 53.3 mt -51.67 138.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 64.42 111.136 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -97.77 157.99 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 63.1 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 29' ' ' TYR . 12.3 mt -71.91 -32.89 67.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.907 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -136.5 159.8 69.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.667 0.746 . . . . 74.44 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.16 3.63 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 71.42 112.316 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.59 55.65 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 52.12 112.462 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.23 -177.96 15.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.734 -0.746 . . . . 51.34 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 27.59 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 71.23 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -118.5 152.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.907 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.79 173.04 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.89 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.686 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.9 m-85 -86.73 150.24 24.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.03 110.992 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.16 163.62 35.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.886 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 34' ' ' ILE . 23.9 mt -52.07 -29.88 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.87 -30.84 25.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 52.31 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -83.69 -33.69 25.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.304 -1.332 . . . . 65.41 110.802 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 31' ' ' LEU . 48.8 mt -71.12 -38.53 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 119.679 1.127 . . . . 73.2 111.163 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.6 -38.05 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 65.4 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.44 ' CZ3' HD12 ' A' ' 78' ' ' LEU . 78.7 t90 -61.02 -58.31 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 65.32 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.86 61.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 53.23 111.089 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -51.21 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.892 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -67.45 -26.64 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.875 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.43 -26.03 35.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.945 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 51' ' ' LEU . 7.1 mt -68.46 -51.23 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 52.24 110.94 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -26.12 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.899 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -71.17 -27.32 63.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 73.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -96.03 28.22 3.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.918 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 20.67 12.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 43.42 111.092 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 50' ' ' LEU . 96.8 t -118.0 114.73 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 64.31 111.193 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.38 144.61 97.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.563 0.697 . . . . 75.42 110.886 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -9.73 26.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.24 . . . . 34.33 112.334 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.27 -16.76 67.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.707 -0.759 . . . . 52.44 112.499 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 HG13 ' A' ' 46' ' ' VAL . 37.6 mt -76.13 -24.63 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 71.54 110.908 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 41' ' ' LEU . 96.4 mt -63.5 -25.13 68.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.2 24.07 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 74.23 110.956 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.1 p -134.61 123.84 24.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.163 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -23.59 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.827 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.0 -49.24 9.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -48.5 58.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 64.13 112.479 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -52.06 -41.86 62.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 75.25 110.864 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -42.46 98.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.876 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.38 -44.79 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 61.2 110.876 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.823 HG21 HD13 ' A' ' 82' ' ' ILE . 53.0 mt -55.73 -39.04 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.136 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD13 HD13 ' A' ' 104' ' ' ILE . 10.0 mt -71.97 -25.98 62.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 35.41 110.905 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.48 -35.28 81.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 74.42 112.431 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -26.14 32.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 75.21 110.91 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.665 HD11 ' C24' ' A' ' 300' ' ' PC8 . 28.8 mt -86.31 -26.12 25.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.903 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.03 -61.74 4.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 74.5 110.907 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.76 -16.75 37.68 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 74.24 112.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -82.43 -26.67 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.25 110.86 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.68 HD11 ' CD2' ' A' ' 79' ' ' TYR . 19.3 mt -51.88 -31.62 28.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 54.11 110.936 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.62 -50.28 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.859 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 p -119.09 43.49 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.43 111.139 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.75 171.45 30.31 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 63.22 112.434 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 p -122.41 -171.55 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 64.34 110.889 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.52 -38.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.875 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -47.09 70.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -60.36 -32.68 71.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.54 110.936 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -65.33 -59.71 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 m -52.78 -29.97 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.828 HD23 ' H48' ' A' ' 300' ' ' PC8 . 1.1 mp -70.69 -68.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.68 ' CD2' HD11 ' A' ' 68' ' ' LEU . 89.7 t80 -54.86 -27.5 42.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.92 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -74.14 -58.78 3.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.7 m -61.39 -54.39 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.51 111.096 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.823 HD13 HG21 ' A' ' 60' ' ' ILE . 50.1 mt -52.38 -35.54 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.099 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' ' 61' ' ' LEU . . . -61.08 -47.77 84.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 42.04 111.165 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 88' ' ' VAL . 85.7 t -63.73 -41.74 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.044 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 ' CG1' ' A' ' 7' ' ' VAL . 15.9 tp -62.17 -31.07 71.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 61.14 110.92 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -65.68 -58.19 6.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.917 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.07 -30.06 24.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 62.12 110.931 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 84' ' ' VAL . 85.0 t -65.37 -37.64 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.125 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -83.15 -15.84 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 117.314 -1.327 . . . . 75.32 110.746 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.52 25.25 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 119.7 1.136 . . . . 74.45 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.8 mtm180 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.5 mt -97.22 137.2 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 71.31 111.157 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.56 108.69 18.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.783 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 100' ' ' ALA . 7.7 m -114.39 155.04 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 72.15 111.121 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -31.91 13.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.942 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.96 167.26 23.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.859 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.906 HG22 HD11 ' A' ' 101' ' ' LEU . 94.1 m -53.26 -47.74 68.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.154 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.822 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -51.97 -46.08 64.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.915 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.14 -37.13 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.883 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.491 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -73.98 -48.42 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 42.42 111.149 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.906 HD11 HG22 ' A' ' 97' ' ' THR . 2.8 mt -57.0 -32.69 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 63.54 110.963 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.99 -43.65 95.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 64.31 110.877 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -26.29 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 75.54 110.872 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.498 HD13 HD13 ' A' ' 61' ' ' LEU . 57.3 mt -83.33 -27.96 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 65.02 111.159 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -37.27 61.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 53.23 110.889 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.21 -48.09 53.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.864 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -35.35 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 70.43 110.838 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -74.35 -49.54 22.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 73.04 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.76 -26.6 57.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -30.48 49.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.904 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -70.94 -28.26 64.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.819 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -81.88 -32.16 31.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 75.5 110.886 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -76.22 -50.3 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.904 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -57.48 -30.61 65.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 73.01 110.921 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.77 -26.03 68.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 54.31 111.047 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -74.78 -67.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 65.13 110.893 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.64 27.82 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.912 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -172.1 -40.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 63.13 111.094 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.08 25.53 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.044 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -107.16 26.17 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 62.02 111.07 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -102.84 32.87 3.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.0 p -92.12 170.79 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 71.21 111.059 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.63 117.22 8.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 64.43 112.473 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -172.04 164.49 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 62.43 110.899 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.77 177.27 4.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 52.11 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.41 174.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.929 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -169.02 176.01 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.12 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.55 133.59 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 63.24 111.154 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.21 108.01 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.871 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.99 111.12 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 64.23 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -70.92 141.62 51.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.839 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 63.54 110.845 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.828 ' H48' HD23 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.548 -0.221 . . . . 75.23 112.548 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.61 40.59 31.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 62.22 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -93.51 104.28 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 72.51 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.34 111.089 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -162.62 152.36 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 33.53 110.828 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 85' ' ' LEU . 93.1 t -82.99 -64.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 45.3 111.063 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 12' ' ' GLU . 98.0 mt -114.98 131.33 56.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 62.23 110.894 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -76.94 -172.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 61.31 110.9 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.15 -50.36 62.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 73.55 112.531 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.99 -43.44 91.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.721 -0.752 . . . . 50.24 112.517 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.731 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.4 mt-10 -64.81 -30.23 71.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 71.43 110.886 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.91 -52.81 54.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.926 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.07 -51.37 58.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.943 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.11 -41.06 97.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.747 ' HA ' HD12 ' A' ' 19' ' ' ILE . 70.9 t-105 -55.89 -55.78 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.961 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.44 -25.29 62.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.827 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -77.5 -48.14 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.876 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 16' ' ' TRP . 6.0 mt -51.75 138.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.11 111.102 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -95.51 158.7 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.21 110.9 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 33' ' ' HIS . 22.7 mt -71.7 -25.93 62.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 51.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -146.11 159.79 44.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 73.42 110.849 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.15 17.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.722 2.281 . . . . 73.33 112.414 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -19.51 21.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.32 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.68 173.12 54.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.758 . . . . 70.1 112.538 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.27 -25.97 7.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.755 0.312 . . . . 61.32 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -54.27 113.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.23 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.18 171.27 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.85 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.801 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.2 m-85 -82.68 150.57 26.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 73.03 110.909 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.37 170.2 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 73.34 110.881 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.68 -27.83 43.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.43 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -51.92 -34.18 40.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 44.3 110.94 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.6 m80 -81.82 -32.88 31.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 117.284 -1.341 . . . . 63.34 110.777 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.92 -37.11 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 119.65 1.114 . . . . 74.21 111.185 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -79.0 -44.96 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.167 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 78.8 t90 -52.98 -46.08 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.961 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 p -68.18 -42.54 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.894 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -26.27 60.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 73.33 110.828 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -83.11 -26.0 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 60.03 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 51' ' ' LEU . 9.2 mt -71.93 -50.0 32.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.44 -26.22 40.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.93 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -27.32 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.851 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -95.94 28.23 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.91 20.67 12.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.075 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG13 HD12 ' A' ' 50' ' ' LEU . 97.5 t -118.06 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.04 111.185 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.44 144.73 95.22 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.587 0.708 . . . . 54.53 110.907 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -11.45 30.81 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.749 2.3 . . . . 53.23 112.269 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.73 -16.03 65.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 61.21 112.46 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD12 HG13 ' A' ' 46' ' ' VAL . 47.8 mt -75.95 -24.3 55.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 75.05 110.884 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD11 HD12 ' A' ' 41' ' ' LEU . 4.0 mt -63.85 -24.82 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 75.31 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -98.6 24.34 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -135.2 123.65 23.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 71.52 111.164 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -57.43 -23.58 50.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -83.8 -49.9 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 61.13 110.953 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.25 -45.51 57.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 61.43 112.542 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.02 -43.44 63.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.824 0.345 . . . . 62.11 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -45.43 91.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.909 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -41.01 95.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.891 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.624 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.0 mt -65.41 -37.63 80.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.196 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.42 -29.85 62.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 71.2 110.956 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.04 -30.55 78.08 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.677 -0.773 . . . . 54.22 112.458 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -85.42 -26.16 26.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 63.4 110.953 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD21 ' H48' ' A' ' 300' ' ' PC8 . 89.6 mt -85.19 -25.94 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.24 110.923 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.5 mt-30 -52.02 -61.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.573 0.701 . . . . 64.13 110.88 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.9 Cg_endo -69.8 -16.73 37.53 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 71.22 112.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.759 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -83.06 -26.94 30.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.821 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.5 mt -52.92 -29.21 27.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 71.22 110.98 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -57.04 -39.52 74.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 60.05 110.936 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.0 p -134.64 42.4 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.131 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -89.85 161.84 29.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.533 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 p -102.61 -172.49 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 60.34 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.86 -35.54 68.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 70.11 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -73.95 -44.04 56.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 63.54 110.907 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -61.68 -30.25 70.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.4 110.951 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -52.05 -32.21 33.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 64.21 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -65.17 -56.99 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.19 -29.9 24.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.94 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -71.55 -62.66 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 75.03 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.414 HG23 ' HH2' ' A' ' 16' ' ' TRP . 27.9 m -56.68 -45.78 81.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 72.24 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 78' ' ' LEU . 61.2 mt -63.1 -25.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.35 111.146 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.18 -59.23 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 64.52 111.073 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.801 HG21 ' CE2' ' A' ' 29' ' ' TYR . 59.1 t -51.68 -37.44 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.136 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 7' ' ' VAL . 3.9 tp -71.42 -49.08 45.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.918 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -52.05 -45.97 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 72.44 110.981 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.04 -53.91 46.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.908 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.561 HG11 ' HB3' ' A' ' 12' ' ' GLU . 50.0 t -60.04 -37.22 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' HE1' HD23 ' A' ' 8' ' ' LEU . 5.2 m-70 -69.82 -33.88 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 117.277 -1.344 . . . . 71.44 110.779 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.66 -74.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.677 1.126 . . . . 54.54 110.901 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.4 34.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.833 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -127.08 136.93 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 64.42 111.071 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -122.74 57.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 64.25 110.842 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.929 HG21 ' HB2' ' A' ' 100' ' ' ALA . 33.0 m -57.95 -177.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.43 111.128 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -135.35 26.21 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.908 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' N ' HG23 ' A' ' 19' ' ' ILE . 0.4 OUTLIER -177.76 150.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 62.12 110.903 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.4 m -61.15 -28.35 69.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.106 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -64.57 -60.61 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.907 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -52.07 -48.48 64.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.77 -32.7 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.14 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -48.31 61.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 70.3 111.021 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.15 -37.41 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 63.54 110.851 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.43 67.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.879 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 68.7 mt -93.35 -35.99 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.085 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.09 -30.47 70.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.26 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.864 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -76.82 -38.32 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.914 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -41.92 99.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 74.52 110.942 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -69.34 -28.14 65.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 52.43 110.896 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -77.78 -30.16 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 64.24 110.916 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.49 -38.8 33.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 34.13 110.852 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -60.27 -35.07 74.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.23 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -58.2 -30.25 66.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.94 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -26.68 37.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 61.41 110.879 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.04 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.34 111.112 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -154.2 28.47 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -91.41 -35.37 14.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 72.45 110.884 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.53 -26.44 64.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 60.25 111.097 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.17 52.78 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.04 111.037 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.09 27.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 70.43 111.101 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -90.12 -36.94 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.7 p -71.77 151.76 43.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 54.24 111.187 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -74.63 -167.63 18.93 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.686 -0.769 . . . . 40.41 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -157.09 159.9 38.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.12 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.38 133.47 33.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.925 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.25 166.58 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 72.55 110.886 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -74.63 135.35 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 74.32 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.89 139.65 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.55 111.131 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.7 172.35 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.14 110.864 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -86.19 -179.9 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 73.21 110.874 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -115.79 142.77 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.839 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 7.5 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 61.32 110.953 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.519 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.54 -0.224 . . . . 45.03 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.59 67.38 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 52.42 111.055 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 53.49 62.94 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.414 . . . . 72.34 110.887 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 63.1 -176.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 65.44 111.127 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.82 -174.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.875 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.9 t -100.01 -71.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 64.53 111.178 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 12' ' ' GLU . 34.2 mt -94.33 145.38 24.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.943 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 p -89.05 -175.39 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.807 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.81 -52.65 51.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 53.43 112.449 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.8 -38.88 97.24 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 73.54 112.451 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.9 mt-10 -69.09 -40.6 78.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 71.33 110.883 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -52.24 -39.4 60.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.03 -55.8 28.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.897 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -40.51 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.875 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.3 t-105 -54.77 -54.34 43.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 74.55 110.879 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -59.69 -26.16 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -74.14 -49.02 25.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.921 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.1 mt -51.79 139.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.157 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -96.65 161.19 13.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.837 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD21 ' CE1' ' A' ' 33' ' ' HIS . 24.8 mt -75.14 -25.95 58.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 65.15 110.919 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt-85 -141.04 159.77 60.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 74.43 110.831 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.08 17.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.246 . . . . 53.03 112.33 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.55 19.67 21.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 70.24 112.492 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.07 176.07 24.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.801 -0.714 . . . . 71.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -116.35 -26.0 7.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 75.31 110.895 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.43 116.57 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.21 110.857 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -81.54 172.95 12.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 62.41 110.967 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 84' ' ' VAL . 1.9 m-85 -81.54 151.22 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 54.02 110.936 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -152.84 169.98 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 72.42 110.823 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -26.96 39.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 61.13 110.94 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -51.95 -30.14 23.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.9 m80 -86.53 -33.02 20.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.341 -1.314 . . . . 73.54 110.825 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HD12 ' A' ' 8' ' ' LEU . 33.1 mt -73.29 -38.78 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.643 1.11 . . . . 65.44 111.193 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.02 -45.06 55.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 45.43 111.159 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.4 t90 -61.15 -48.95 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.44 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 -33.1 58.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 75.15 111.085 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -67.88 -53.49 26.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.33 110.891 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -60.46 -37.34 80.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -77.12 -26.01 52.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 63.14 110.95 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 46' ' ' VAL . 7.9 mt -70.59 -51.54 27.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 53.34 110.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -26.49 39.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 55.22 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -70.17 -28.07 65.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.898 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -96.02 28.13 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.85 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.03 21.4 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.076 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 HD12 ' A' ' 50' ' ' LEU . 97.0 t -117.99 114.81 46.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.127 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -63.31 144.32 97.54 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.625 0.726 . . . . 74.13 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 64.34 112.392 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.05 -12.15 59.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 54.11 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 60' ' ' ILE . 51.3 mt -77.18 -23.68 51.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 73.32 110.939 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 85' ' ' LEU . 71.1 mt -78.08 -20.86 51.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.94 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -95.3 22.54 6.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.938 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.53 118.5 7.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.32 111.147 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -21.46 60.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.05 -54.75 3.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 63.2 110.959 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.56 -20.16 44.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 61.11 112.513 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.47 78.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.354 . . . . 61.23 110.864 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -30.18 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.911 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.17 -36.52 81.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.863 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 50' ' ' LEU . 63.6 mt -65.38 -60.92 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.56 -31.25 45.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 60.2 110.868 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.42 -19.65 57.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 70.15 112.515 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.25 -33.66 9.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 72.14 110.904 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.711 HD11 ' H48' ' A' ' 300' ' ' PC8 . 28.2 mt -76.73 -26.14 54.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 65.52 110.963 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.643 ' HA ' HD12 ' A' ' 68' ' ' LEU . 3.7 mt-30 -51.99 -61.71 4.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 55.22 110.961 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.84 -16.73 37.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.645 2.23 . . . . 71.0 112.369 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -80.85 -28.6 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 63.25 110.858 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 65' ' ' GLN . 3.5 mt -54.77 -28.57 49.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 74.24 110.86 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -52.68 -44.82 66.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.45 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -132.75 44.11 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.194 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.94 -169.88 42.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 54.12 112.476 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.0 p -139.31 -171.77 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 51.54 110.85 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.36 -50.7 69.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.935 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.68 -29.99 41.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.873 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.609 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -79.24 -47.36 16.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.907 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -53.12 -46.94 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 m -53.35 -48.2 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -59.59 -58.45 8.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.935 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 7.8 t80 -52.09 -33.1 38.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.943 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.48 ' CG ' HG21 ' A' ' 97' ' ' THR . 2.6 m-20 -67.24 -57.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 51.33 110.889 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -62.32 -54.33 42.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 74.14 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.915 HD11 HD12 ' A' ' 78' ' ' LEU . 61.1 mt -52.17 -34.05 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 54.31 111.156 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.21 111.093 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 88' ' ' VAL . 66.3 t -51.76 -37.58 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.123 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.656 HD22 HD22 ' A' ' 51' ' ' LEU . 5.5 tp -62.53 -57.85 9.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.982 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -52.2 -39.52 60.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.963 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.5 m -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 75.23 110.948 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 84' ' ' VAL . 90.8 t -68.06 -50.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 44.34 111.135 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' CE1' HD23 ' A' ' 8' ' ' LEU . 9.2 m-70 -54.98 -40.75 70.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 117.352 -1.309 . . . . 72.44 110.83 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -72.22 -68.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.618 1.099 . . . . 54.31 110.928 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -179.32 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.833 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.614 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mt -51.83 122.88 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.127 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -114.99 59.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.946 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.931 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -51.98 167.59 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.137 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -95.96 -26.2 15.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.87 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.09 175.41 10.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 72.31 110.891 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.48 HG21 ' CG ' ' A' ' 80' ' ' ASN . 39.3 m -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 70.25 111.13 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.878 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -38.16 59.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 54.54 110.966 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.931 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.41 -30.75 71.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.078 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -71.86 -39.42 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 65.42 110.881 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -68.38 -42.21 79.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.909 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.28 85.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.37 -46.72 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 63.52 111.171 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.11 -40.91 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 61.35 110.861 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -61.94 -44.59 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 65.41 110.899 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.41 -34.17 77.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 54.53 110.881 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -68.31 -54.82 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 74.42 110.913 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -56.03 -39.18 71.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -58.65 -34.28 71.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.2 m -69.64 -38.85 77.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.85 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -39.39 88.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.55 -45.48 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.5 110.915 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -31.6 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.12 110.873 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.92 32.97 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 55.11 111.074 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -151.04 30.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 65.41 110.895 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -35.45 65.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.907 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -106.59 28.73 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 61.32 111.091 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.51 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 53.33 111.108 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.11 -46.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 45.24 111.128 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -46.19 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.812 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.45 -179.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.13 111.188 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.61 54.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 64.2 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -91.88 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.336 . . . . 72.33 110.907 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -54.23 164.43 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.837 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.46 142.86 30.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 43.45 110.862 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.43 145.35 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 60.3 110.919 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.2 p -100.56 143.52 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 63.1 111.151 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 p -146.22 121.38 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.778 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -139.23 -178.62 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -150.01 120.23 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.43 110.904 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.885 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.711 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.537 -0.225 . . . . 75.22 112.537 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.88 179.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 54.52 111.075 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -90.04 57.11 3.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.874 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.87 37.18 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 71.11 111.1 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 p -114.47 170.9 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.881 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 34' ' ' ILE . 66.2 t -95.79 -71.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 64.34 111.117 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 12' ' ' GLU . 72.8 mt -102.38 142.94 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.938 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -81.71 -173.15 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 61.31 110.852 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.46 67.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.754 -0.736 . . . . 74.13 112.478 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.36 93.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 74.33 112.496 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.2 mt-10 -70.05 -33.68 72.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 73.15 110.842 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.33 -43.4 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.925 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -59.03 6.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 73.1 110.796 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -59.34 -40.33 86.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 75.55 110.851 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.758 ' CZ3' HD12 ' A' ' 85' ' ' LEU . 64.9 t-105 -52.0 -47.09 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.892 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.85 -26.18 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 75.12 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -44.19 29.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.723 HG21 ' CG1' ' A' ' 84' ' ' VAL . 54.3 mt -51.74 134.73 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 54.11 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -94.64 159.09 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.856 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 29' ' ' TYR . 9.8 mt -76.34 -39.79 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.11 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -124.21 159.73 55.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.747 . . . . 75.44 110.845 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.635 2.223 . . . . 74.32 112.39 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.16 57.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 62.23 112.489 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.32 -174.2 13.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.504 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.94 27.61 5.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 72.34 110.933 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -115.14 150.93 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.877 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -117.83 170.77 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.957 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.559 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -85.55 150.75 24.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 65.15 110.924 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.36 168.11 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.903 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.99 -27.73 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.1 110.947 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -52.0 -32.76 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.54 110.885 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -83.62 -36.17 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 117.368 -1.301 . . . . 74.11 110.897 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.553 HG23 HG11 ' A' ' 7' ' ' VAL . 63.9 mt -68.79 -37.49 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 119.677 1.126 . . . . 72.12 111.136 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.6 t -77.64 -48.97 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 50.31 111.16 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.607 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 75.6 t90 -53.17 -44.94 68.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.43 110.959 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.74 -32.78 73.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 74.52 111.138 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -44.64 76.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.857 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -71.2 -35.27 71.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 54.45 110.917 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -26.12 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 61.52 110.854 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 46' ' ' VAL . 8.8 mt -69.56 -52.08 29.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 61.22 110.945 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -54.94 -26.77 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.15 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -69.86 -28.41 65.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.901 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -96.08 28.27 3.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 70.24 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.0 21.63 12.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.134 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.644 HG13 HD12 ' A' ' 50' ' ' LEU . 94.9 t -117.81 114.79 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 72.14 111.142 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.69 143.98 96.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.67 0.748 . . . . 54.31 110.852 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -11.91 31.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.711 2.274 . . . . 44.03 112.322 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.56 -11.57 60.07 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 21.12 112.517 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.7 mt -77.05 -23.57 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 74.44 110.939 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.478 HD22 HD22 ' A' ' 85' ' ' LEU . 71.5 mt -78.3 -20.86 50.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.862 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -95.3 22.55 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.939 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.25 118.49 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 73.3 111.141 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -21.56 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.853 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -89.81 -54.73 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.955 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.92 -19.66 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 72.03 112.523 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -41.97 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 72.5 110.86 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -52.02 -30.11 23.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.858 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -36.41 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.934 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 50' ' ' LEU . 44.4 mt -67.61 -58.56 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.107 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.45 -27.59 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.2 110.887 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 -19.76 65.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.798 -0.715 . . . . 73.14 112.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -100.72 -26.24 13.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 73.41 110.918 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD22 ' HG ' ' A' ' 75' ' ' LEU . 62.0 mt -85.64 -26.39 26.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 72.24 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.47 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -51.97 -61.84 3.86 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.571 0.7 . . . . 74.23 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.5 Cg_endo -69.68 -16.77 38.05 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.659 2.239 . . . . 72.05 112.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -102.33 26.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 64.03 110.907 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -82.34 -36.47 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 64.42 110.95 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -41.04 23.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 73.5 110.909 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.1 p -95.55 31.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.115 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -107.03 -179.47 22.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 55.42 112.479 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.8 p -126.42 -174.11 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 65.2 110.855 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -56.64 -34.91 67.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 74.14 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.48 -42.07 79.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.803 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' HG ' HD22 ' A' ' 64' ' ' LEU . 2.3 tt -66.79 -49.91 64.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.909 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -52.08 -49.94 62.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 m -52.14 -45.06 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 43.14 110.886 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.874 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.16 -57.15 14.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 73.44 110.95 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -52.07 -31.44 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.93 -56.73 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.91 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.7 m -64.02 -53.2 53.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 71.11 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.874 HD11 HD12 ' A' ' 78' ' ' LEU . 55.9 mt -52.0 -35.02 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.168 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.14 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.164 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.723 ' CG1' HG21 ' A' ' 19' ' ' ILE . 61.9 t -53.19 -37.41 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.148 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -64.07 -56.91 11.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 71.25 110.968 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -52.09 -42.16 63.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.914 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.6 m -59.77 -54.56 44.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 64.44 110.85 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 84' ' ' VAL . 92.3 t -59.42 -37.55 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.157 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.551 ' CE1' HD23 ' A' ' 8' ' ' LEU . 4.3 m-70 -66.35 -36.98 84.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 117.322 -1.323 . . . . 64.01 110.802 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -78.3 -73.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.657 1.117 . . . . 64.24 110.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.25 34.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.59 HG22 HG13 ' A' ' 94' ' ' VAL . 4.2 mp -126.78 129.07 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 71.33 111.1 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.46 57.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 53.12 110.852 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.693 HG21 ' HB2' ' A' ' 100' ' ' ALA . 23.0 m -51.76 163.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 42.34 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -88.07 -26.07 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.854 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.48 164.75 29.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.85 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.1 m -60.9 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 43.45 111.182 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -54.04 -53.4 53.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.922 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -44.78 78.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.963 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.693 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -60.86 -44.57 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 61.55 111.166 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.68 -36.81 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 64.41 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.83 -31.31 72.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 75.34 110.838 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.82 65.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 73.34 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.51 -37.75 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.84 -27.17 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.06 -26.69 33.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.873 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.31 -40.2 12.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 51.43 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -55.03 -32.6 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.86 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.38 -39.55 76.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -56.55 -28.89 61.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.28 -29.06 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.972 0.415 . . . . 73.51 110.901 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -72.09 -29.26 63.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 74.25 110.832 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -38.19 90.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 75.55 110.869 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -63.97 -28.39 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 63.54 110.883 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.79 31.34 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 62.33 111.141 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.07 29.72 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.913 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.14 110.927 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.1 -48.99 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 74.13 111.095 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.84 65.15 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 53.44 111.138 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.86 -42.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.55 111.101 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -88.45 68.45 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.884 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.63 173.39 12.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 64.15 111.138 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.35 172.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.477 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.75 154.61 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.309 . . . . 74.53 110.908 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -94.41 158.97 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.9 t -95.87 148.98 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.864 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -72.5 178.66 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 73.25 110.944 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 21.3 m -81.23 160.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 74.44 111.171 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.29 174.21 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.865 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -67.37 -172.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 55.11 110.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.9 179.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 64.31 110.889 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 65.32 110.921 -179.856 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.475 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.541 -0.224 . . . . 54.1 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.58 164.43 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 31.12 111.115 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.7 -171.77 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.845 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.84 96.84 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 72.02 111.103 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -104.57 85.45 2.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 51.23 110.851 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -78.98 -61.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 74.23 111.189 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.3 mt -93.57 138.55 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 p -79.56 -175.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.797 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.35 -50.73 63.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 64.24 112.429 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.73 -41.86 98.8 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.722 -0.752 . . . . 53.24 112.492 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -66.8 -38.91 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 71.22 110.826 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -57.29 -39.69 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.925 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.47 -56.44 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 71.54 110.826 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.46 95.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.893 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.49 ' HA ' HD12 ' A' ' 19' ' ' ILE . 56.6 t-105 -52.02 -46.4 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.909 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.36 -26.28 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -77.61 -44.11 29.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.705 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.95 133.15 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.01 111.167 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.98 158.77 15.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.832 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 33' ' ' HIS . 13.2 mt -76.85 -51.27 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 64.4 110.922 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -108.36 158.66 33.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 63.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -43.63 2.47 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 72.42 112.359 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.14 23.36 21.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.676 -0.774 . . . . 74.41 112.474 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.36 -172.93 47.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.501 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.51 27.02 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 73.22 110.944 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -119.74 167.57 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 52.33 110.899 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.2 168.32 14.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.852 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.1 m-85 -80.66 149.54 29.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.935 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -148.11 167.62 24.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.491 . . . . 74.54 110.892 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -54.11 -27.95 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.886 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.03 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 55.13 110.915 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.4 m80 -84.02 -33.67 24.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 117.289 -1.339 . . . . 73.43 110.768 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.01 -37.11 66.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 119.699 1.136 . . . . 74.42 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.46 -40.66 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.117 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.636 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 87.4 t90 -58.43 -54.48 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 74.11 110.988 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.06 -44.79 64.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 61.32 111.074 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.2 -41.8 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 65.53 110.81 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -54.99 19.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 65.13 110.871 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.1 -26.18 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.51 110.829 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.58 -60.23 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.954 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -29.01 27.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -62.99 -32.49 73.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.21 110.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -96.07 27.98 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 65.23 110.913 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.98 24.42 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.049 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.662 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.8 t -118.02 114.82 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 74.04 111.139 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.34 143.58 89.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 63.41 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -16.59 37.93 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.759 2.306 . . . . 72.54 112.405 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.95 -26.98 69.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 72.43 112.467 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.662 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.9 mt -56.36 -25.99 51.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 75.03 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 85' ' ' LEU . 81.3 mt -75.95 -26.73 57.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.833 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -76.3 -5.85 48.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 75.25 110.85 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.2 p -126.16 129.97 50.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 62.35 111.163 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -26.56 41.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.01 110.889 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.48 -48.04 24.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 74.13 110.891 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.65 -43.37 59.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 63.11 112.456 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.95 -48.6 70.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 73.15 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -40.75 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.791 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -68.96 -35.17 76.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.892 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' LEU . 59.7 mt -72.8 -40.57 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.5 111.117 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mt -73.25 -35.24 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 70.2 110.937 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.53 -23.58 60.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 53.4 112.502 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -95.18 -26.23 16.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.835 0.35 . . . . 74.21 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD21 ' H40' ' A' ' 300' ' ' PC8 . 27.1 mt -83.42 -26.05 30.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 63.34 110.864 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -52.07 -61.71 4.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 51.03 110.904 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.6 Cg_endo -69.79 -17.63 37.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.595 2.196 . . . . 74.1 112.391 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.68 -27.36 34.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.01 -30.58 25.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.851 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -49.18 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.884 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.1 p -120.91 39.58 3.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 73.02 111.114 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -89.48 165.28 32.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 71.43 112.461 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -110.79 -171.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 44.11 110.881 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -52.36 -48.51 65.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.933 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.96 -49.29 78.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 54.33 110.918 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.521 HD13 ' HA2' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -53.69 -50.18 66.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 54.41 110.97 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -53.04 60.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.851 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -40.37 62.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 64.22 110.823 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.92 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -60.55 -57.81 11.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.94 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.2 t80 -52.8 -29.24 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.911 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.766 ' HB3' HG21 ' A' ' 97' ' ' THR . 14.0 m-20 -71.22 -57.36 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 63.41 110.91 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -62.9 -53.89 47.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 62.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.92 HD11 HD12 ' A' ' 78' ' ' LEU . 65.7 mt -52.48 -30.08 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.138 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.27 -63.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.157 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 88' ' ' VAL . 63.6 t -51.86 -37.81 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 65.15 111.201 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -63.07 -55.25 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.932 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -52.33 -48.3 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.11 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.2 m -53.11 -32.87 49.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 63.15 110.869 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.4 t -71.64 -42.41 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 63.42 111.1 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.88 -30.84 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 117.257 -1.354 . . . . 74.44 110.806 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -80.53 -74.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 119.606 1.094 . . . . 63.31 110.946 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.29 -35.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 75.44 110.864 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 94' ' ' VAL . 3.3 mt -51.9 123.46 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 65.31 111.092 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -109.35 57.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 72.15 110.866 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.893 HG21 ' HB2' ' A' ' 100' ' ' ALA . 14.8 m -51.83 147.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.05 111.074 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -26.25 32.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.21 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.44 176.05 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.886 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.766 HG21 ' HB3' ' A' ' 80' ' ' ASN . 25.4 m -68.87 -39.21 79.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 64.51 111.142 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -53.85 48.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 70.13 110.948 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.01 69.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.875 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -61.12 -35.28 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.121 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -36.79 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.906 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 71.34 110.843 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -71.02 -56.18 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.924 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.6 -35.46 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.094 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.86 -49.32 59.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.6 -26.47 68.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 75.41 110.901 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.61 -27.36 41.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.842 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -84.4 -30.14 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 72.41 110.923 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -55.85 -34.65 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -54.29 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 72.23 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -26.81 68.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 65.51 110.799 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -27.92 69.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 73.12 110.867 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -87.06 -37.98 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.953 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -63.15 -28.02 69.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 62.11 110.952 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.34 -25.29 67.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 42.12 111.077 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -106.4 36.14 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 43.32 110.944 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -84.23 -27.36 28.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 70.5 110.917 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.79 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 71.24 111.126 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.23 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.091 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -153.54 28.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 54.42 111.176 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -100.44 32.67 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 p -94.85 179.35 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 62.41 111.111 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -66.89 91.94 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.82 -0.705 . . . . 71.03 112.457 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -102.52 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 74.12 110.906 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -75.33 166.65 23.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 55.41 110.921 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.8 p -121.74 79.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.811 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.45 154.41 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.883 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 28.4 m -55.76 171.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 50.15 111.183 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.75 176.13 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 62.42 110.806 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 168.89 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.076 -0.511 . . . . 64.12 110.896 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -82.97 -176.21 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 64.5 110.947 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.534 ' H40' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.504 -0.239 . . . . 45.03 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.62 176.83 8.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.733 0.301 . . . . 43.04 111.077 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -128.14 113.39 15.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 61.11 110.864 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.66 161.26 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.43 111.133 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -104.21 99.36 9.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 70.43 110.81 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.41 -44.93 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 73.43 111.147 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 16' ' ' TRP . 79.0 mt -109.14 138.69 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.877 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 p -79.21 -172.35 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 63.52 110.85 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.73 -50.94 60.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 75.54 112.477 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.4 -36.64 93.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.695 -0.764 . . . . 60.12 112.56 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.8 mt-10 -72.24 -39.05 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 71.53 110.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.0 -41.42 74.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 74.55 110.921 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.19 -56.22 24.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.86 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -62.75 -41.11 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.855 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.5 t-105 -52.62 -51.44 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 51.34 110.893 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.76 -26.39 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.34 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -49.92 19.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.969 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.4 mt -51.71 141.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 60.41 111.167 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -105.2 157.58 17.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 64.35 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.3 mt -74.51 -34.22 62.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 62.42 110.894 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -127.24 159.64 64.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.624 0.726 . . . . 43.31 110.894 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -33.35 16.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 72.52 112.349 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.46 56.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 73.12 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -112.47 -169.47 17.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.683 -0.77 . . . . 74.11 112.467 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -130.31 29.33 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.44 110.918 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.89 135.36 19.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.851 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.19 -173.47 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 35.54 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.26 150.24 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.914 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -148.93 168.64 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.901 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 34' ' ' ILE . 1.6 tp -53.82 -27.91 32.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.967 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -51.99 -32.33 33.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.41 110.939 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.62 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.0 m80 -83.59 -32.95 25.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.306 -1.33 . . . . 73.32 110.817 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 62.7 mt -71.17 -37.86 68.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.662 1.119 . . . . 75.12 111.237 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.31 -42.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 71.11 111.173 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.0 t90 -57.3 -55.5 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 61.11 110.891 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.23 64.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.134 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 m -52.25 -50.27 62.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.893 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.46 -39.2 86.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.832 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -26.14 63.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.828 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 51' ' ' LEU . 11.4 mt -70.57 -54.54 11.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.96 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.08 -27.71 34.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.3 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -30.61 70.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.81 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -95.87 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 61.34 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.99 23.46 13.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 25.14 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG1' HD12 ' A' ' 50' ' ' LEU . 99.7 t -117.96 124.32 72.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.15 111.221 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.07 143.3 97.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.713 . . . . 72.13 110.891 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.09 37.5 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.787 2.325 . . . . 63.51 112.326 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.56 -27.27 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 72.23 112.428 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD12 ' CG1' ' A' ' 46' ' ' VAL . 58.3 mt -56.28 -25.96 50.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 71.44 110.876 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 41' ' ' LEU . 56.6 mt -72.81 -27.48 61.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 63.35 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -76.2 -5.96 49.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -124.9 129.91 51.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 72.13 111.187 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -26.46 40.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.907 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.62 -47.78 25.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.77 79.17 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 73.54 112.496 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -57.55 -45.21 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 52.21 110.882 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -43.98 64.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 63.53 110.865 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.15 -34.22 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.4 mt -72.3 -39.35 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 75.43 111.192 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.6 mt -74.58 -35.9 63.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 64.31 110.948 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.4 59.17 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 63.12 112.497 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -90.3 -26.78 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 62.51 110.88 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' HG ' ' A' ' 75' ' ' LEU . 84.0 mt -83.76 -26.01 30.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.969 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' ' 68' ' ' LEU . 6.6 mt-30 -52.11 -61.8 3.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.635 0.731 . . . . 63.32 110.891 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.3 Cg_endo -69.78 -19.63 35.77 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 73.22 112.38 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -26.92 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.845 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.3 mt -52.18 -30.18 25.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.949 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -55.53 -39.15 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.906 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.53 41.21 2.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.175 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.588 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -90.15 158.94 27.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 75.42 112.45 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -104.94 -171.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 43.32 110.854 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.03 -48.87 67.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 75.32 110.88 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -54.83 42.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.588 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.9 OUTLIER -56.61 -38.46 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 70.13 110.906 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -53.19 48.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 63.24 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.21 -36.99 53.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.907 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.953 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.8 -57.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 74.02 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 68' ' ' LEU . 8.1 t80 -53.58 -28.54 32.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.949 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 97' ' ' THR . 30.5 m-20 -71.68 -59.31 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 72.35 110.852 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 49.6 m -61.54 -53.23 59.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 63.12 111.152 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HD12 ' A' ' 78' ' ' LEU . 70.1 mt -52.65 -35.68 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 63.42 111.188 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -62.07 -58.21 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 44.53 111.084 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 88' ' ' VAL . 64.3 t -56.49 -37.51 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 72.43 111.185 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -55.89 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 64.44 110.988 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -52.21 -48.13 65.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 65.12 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 55.4 m -52.06 -35.96 49.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 75.45 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 84' ' ' VAL . 60.2 t -68.41 -46.58 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.03 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -66.4 -34.43 77.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 117.236 -1.364 . . . . 74.34 110.747 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.23 -72.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 119.661 1.119 . . . . 71.11 110.893 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -179.16 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.854 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.74 HG22 HG13 ' A' ' 94' ' ' VAL . 3.4 mp -51.83 126.22 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 71.44 111.137 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -116.59 56.28 0.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.196 -0.457 . . . . 61.12 110.897 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 92' ' ' ILE . 29.5 m -54.3 166.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 52.43 111.137 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -26.24 14.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 63.32 110.934 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -178.34 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.89 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 80' ' ' ASN . 33.5 m -75.66 -41.07 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.148 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -48.85 67.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.908 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -55.9 -46.19 78.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 53.22 110.918 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -57.97 -33.35 68.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.52 111.14 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.03 -26.34 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 71.51 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -81.69 -40.35 22.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.864 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -64.24 -47.41 79.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.5 mt -66.49 -36.33 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.03 111.158 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.48 -30.03 70.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.906 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.56 -55.13 5.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 63.14 110.876 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.14 -37.82 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -71.25 -47.38 57.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -58.15 -33.31 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.88 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.99 -51.55 61.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.846 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.93 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 65.23 110.88 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -58.52 -44.39 89.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 73.52 110.986 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.3 -28.11 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 64.13 110.884 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -100.04 33.13 2.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -140.27 28.23 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.15 111.15 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -36.85 9.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.911 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -73.0 -51.61 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.51 110.848 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.44 -56.31 13.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 62.33 111.113 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 115' ' ' ALA . . . -74.02 79.82 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.1 111.087 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.53 -38.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.126 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -100.14 70.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 75.22 110.852 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 p -113.69 86.1 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.125 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -103.46 131.01 10.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 74.24 112.507 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -104.48 169.51 8.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 52.24 110.948 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -124.61 159.28 31.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.922 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 81.8 p -141.61 177.64 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.859 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -80.6 -176.62 5.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 64.33 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.05 120.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 70.32 111.106 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.75 105.16 15.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 51.14 110.847 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -170.38 162.38 8.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.872 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -57.78 164.35 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 54.41 110.878 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.524 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.535 -0.226 . . . . 45.03 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.69 42.75 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 61.24 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -115.33 147.07 40.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.843 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.7 50.05 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 73.13 111.059 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -121.01 67.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 65.35 110.868 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG12 ' HG ' ' A' ' 8' ' ' LEU . 58.9 t -78.93 -61.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 61.24 111.179 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 12' ' ' GLU . 95.6 mt -119.54 126.63 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.96 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -75.29 -172.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.825 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.48 -50.43 56.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 75.34 112.498 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.31 -46.86 75.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 14.12 112.494 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.725 ' HB3' HD22 ' A' ' 8' ' ' LEU . 26.5 mt-10 -61.41 -31.34 71.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 72.31 110.864 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.5 tp -64.36 -54.36 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -49.67 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.909 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -65.93 -40.94 91.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 52.43 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.667 ' HA ' HD12 ' A' ' 19' ' ' ILE . 67.7 t-105 -55.55 -55.11 35.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.935 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -58.42 -25.93 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 71.13 110.906 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.11 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.41 110.837 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.87 141.3 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 71.31 111.084 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -104.97 157.72 17.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.54 110.889 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.607 HD23 ' CE1' ' A' ' 29' ' ' TYR . 1.4 mt -73.61 -30.63 63.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.97 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -137.68 159.75 67.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.683 . . . . 73.44 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -41.48 4.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 54.12 112.348 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.53 52.62 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.794 -0.717 . . . . 74.43 112.458 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -111.85 -173.59 19.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.535 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -129.96 26.16 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 71.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 156.13 43.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.892 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -109.29 -172.88 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 53.01 110.897 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.676 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -86.39 149.59 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.895 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.05 166.89 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.037 -0.529 . . . . 71.31 110.964 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -54.32 -27.61 36.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.319 -0.4 . . . . 73.51 110.896 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -51.97 -31.07 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.896 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD21 ' A' ' 21' ' ' LEU . 18.0 m80 -85.13 -34.23 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 117.344 -1.313 . . . . 75.22 110.762 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.6 mt -71.13 -40.88 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 119.669 1.122 . . . . 75.14 111.162 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.7 t -68.0 -52.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.21 111.114 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 83.0 t90 -53.26 -41.15 65.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.899 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.65 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.3 111.121 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 m -71.69 -42.21 67.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 61.42 110.893 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -26.67 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.33 110.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -25.95 33.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.489 . . . . 63.51 110.882 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 51' ' ' LEU . 8.2 mt -71.82 -50.85 25.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -55.45 -26.2 40.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.845 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -70.79 -27.49 63.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.802 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -96.07 28.1 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.95 21.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.096 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.711 HG13 HD12 ' A' ' 50' ' ' LEU . 98.9 t -118.25 114.73 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.172 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -61.78 144.82 92.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.554 0.692 . . . . 74.02 110.894 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -13.04 33.98 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.684 2.256 . . . . 75.42 112.312 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.8 -16.34 63.57 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.814 -0.708 . . . . 74.11 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD12 HG13 ' A' ' 46' ' ' VAL . 54.1 mt -74.76 -24.7 58.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 74.32 110.928 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 41' ' ' LEU . 65.7 mt -62.13 -24.93 67.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 63.21 110.887 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -100.0 25.11 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.3 p -134.39 123.09 23.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.137 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.88 -23.07 51.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.81 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.77 -46.16 11.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.857 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.38 -49.58 75.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 72.11 112.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -52.17 -32.26 35.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 75.35 110.889 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -72.39 -43.47 63.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.86 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -64.87 -42.05 95.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 63.51 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.627 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.5 mt -57.66 -37.62 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.193 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 mt -72.11 -25.93 61.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 62.22 111.02 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.67 -28.76 73.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.536 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -88.0 -26.1 22.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 74.1 110.94 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD21 ' H40' ' A' ' 300' ' ' PC8 . 54.0 mt -87.14 -25.82 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -52.04 -61.7 4.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 73.01 110.916 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.4 Cg_endo -69.78 -16.74 37.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 74.13 112.325 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.634 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -83.17 -26.59 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.844 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.6 mt -52.49 -33.71 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 71.11 110.911 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -53.65 -43.76 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.887 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.1 44.28 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 74.2 111.168 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.82 160.28 20.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 71.1 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.3 p -106.12 -171.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 33.52 110.873 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.18 -45.95 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 74.33 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.37 -47.96 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 70.23 110.948 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.2 OUTLIER -58.19 -56.78 17.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.845 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -52.35 -47.5 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 75.54 110.828 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -52.47 -42.51 64.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 63.44 110.916 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.848 HD12 HD11 ' A' ' 82' ' ' ILE . 1.6 mm? -64.0 -57.97 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 71.53 110.917 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.477 ' HE2' HD11 ' A' ' 101' ' ' LEU . 11.0 t80 -55.13 -26.64 39.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 70.11 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' A' ' 97' ' ' THR . 5.2 t30 -71.03 -41.34 70.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.842 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.1 m -81.24 -53.97 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.21 111.142 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.848 HD11 HD12 ' A' ' 78' ' ' LEU . 54.4 mt -51.77 -29.95 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 64.34 111.166 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.74 69.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 60.33 111.066 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 88' ' ' VAL . 91.9 t -70.2 -39.93 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 73.11 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.85 -46.93 85.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.922 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -56.03 -53.19 59.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.904 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.98 -38.39 56.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 84' ' ' VAL . 89.1 t -61.89 -37.58 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.42 111.086 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -83.72 -13.94 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 117.335 -1.316 . . . . 73.21 110.766 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.02 26.01 6.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 119.731 1.15 . . . . 73.32 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 58.45 35.97 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.884 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mt -112.49 133.0 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.52 111.072 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -115.01 123.39 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 41.54 110.847 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 100' ' ' ALA . 27.2 m -130.55 175.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.152 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -108.86 -28.26 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 42.2 110.895 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -143.39 -177.54 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.886 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.541 HG21 ' OD1' ' A' ' 80' ' ' ASN . 95.7 m -71.88 -42.16 67.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 63.33 111.131 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -51.7 63.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.888 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -52.55 -48.99 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.857 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.619 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -65.37 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.477 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -67.32 -49.03 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -56.36 -38.57 71.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 70.53 110.862 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.68 -36.3 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.924 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.88 -33.15 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.121 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -70.98 -36.32 72.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.19 -32.78 72.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 60.22 110.912 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.8 -43.43 79.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.935 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -67.21 -41.43 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.03 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -55.38 -54.35 44.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.884 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -55.33 -34.63 64.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.13 110.958 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.5 t -71.7 -26.65 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 63.51 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -83.29 -26.06 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 75.33 110.951 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 -42.12 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.876 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -52.06 -31.72 31.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.938 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.15 -30.63 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 64.5 111.075 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -111.98 34.69 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 75.35 110.951 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -70.71 -29.86 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 53.34 111.164 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.57 51.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.35 111.079 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.73 59.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 51.04 111.127 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -158.56 -68.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.15 110.884 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.33 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.194 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -99.36 106.1 3.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 63.14 112.503 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.1 157.41 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 72.34 110.875 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -56.46 123.28 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.894 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.9 t -145.74 129.18 16.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 63.43 110.847 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.51 146.91 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 31.8 m -145.26 168.08 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.22 111.137 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.37 146.66 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 64.2 110.867 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 95.2 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 54.34 110.889 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -154.9 114.39 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.22 110.947 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.933 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.55 ' H40' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.5 -0.24 . . . . 51.11 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.38 174.34 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 74.31 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -70.7 156.01 40.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.91 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.17 157.41 47.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 51.45 111.112 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.98 169.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 61.02 110.873 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.17 -68.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 73.23 111.135 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 16' ' ' TRP . 89.5 mt -101.71 120.79 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.55 110.904 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 p -68.32 -172.71 0.35 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.854 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.99 -50.56 60.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.773 . . . . 52.2 112.512 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.71 -44.53 92.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 23.3 112.452 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.6 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.3 mt-10 -63.81 -32.57 74.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 51.43 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.03 -49.5 72.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.914 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -51.47 58.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.23 110.835 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -65.74 -40.54 92.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.615 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.5 t-105 -55.17 -54.65 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.903 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.64 -26.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -50.93 15.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.902 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.0 mt -51.74 141.78 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 55.03 111.094 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -106.3 156.5 18.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.8 mt -70.83 -32.72 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 73.21 110.937 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -136.33 159.09 72.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.736 . . . . 64.15 110.821 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -40.29 5.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 74.23 112.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.73 44.81 1.43 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.72 -0.752 . . . . 74.53 112.474 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.86 -175.37 25.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.475 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 26.43 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 60.1 110.909 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.93 154.38 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.956 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -106.44 -173.52 2.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 74.35 110.877 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.671 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.6 m-85 -85.61 150.22 24.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.915 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.46 168.39 23.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 34' ' ' ILE . 19.0 mt -53.72 -28.17 32.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 74.21 110.935 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -30.35 24.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.925 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CE1' HD21 ' A' ' 21' ' ' LEU . 24.4 m80 -85.31 -32.26 22.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.294 -1.336 . . . . 72.25 110.847 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.545 HD12 HD23 ' A' ' 31' ' ' LEU . 34.9 mt -72.21 -37.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 119.671 1.123 . . . . 75.23 111.086 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.12 -47.92 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 52.14 111.178 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.646 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.1 t90 -53.59 -51.95 61.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.893 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.22 -48.72 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.14 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -52.1 -51.27 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.871 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -59.95 -26.26 65.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 74.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG2' HD21 ' A' ' 78' ' ' LEU . 3.2 tp10 -84.37 -26.38 28.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -69.97 -49.13 54.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.869 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -26.62 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 54.42 110.886 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.45 -28.94 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.864 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -96.01 25.84 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.67 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.052 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 96.3 t -117.59 130.26 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 45.23 111.116 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.643 0.735 . . . . 72.4 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.51 112.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.48 12.66 55.03 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.759 . . . . 75.45 112.537 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 63.4 mt -96.68 -26.05 15.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 54.52 110.919 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 41' ' ' LEU . 13.0 mt -67.05 -25.84 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 63.44 110.933 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -5.68 48.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 74.53 110.901 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 p -118.1 130.9 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 73.52 111.173 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -26.11 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.02 110.853 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.96 -46.89 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.01 -48.72 57.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 74.53 112.44 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.498 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.4 m -57.71 -39.05 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 75.35 110.906 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -52.26 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.59 -32.32 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.13 110.902 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 ' CG2' HD13 ' A' ' 82' ' ' ILE . 55.1 mt -73.68 -43.44 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 60.34 111.108 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.72 -32.76 72.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.46 -34.43 89.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 72.0 112.513 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.87 -29.93 35.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 74.33 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.733 HD22 ' HG ' ' A' ' 75' ' ' LEU . 68.1 mt -80.82 -26.04 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.908 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' ' 68' ' ' LEU . 5.7 mt-30 -51.94 -61.77 3.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 55.22 110.945 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.7 Cg_endo -69.78 -20.04 35.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.629 2.22 . . . . 72.14 112.389 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -78.97 -27.54 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.886 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 65' ' ' GLN . 7.2 mt -52.06 -30.06 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 61.21 110.993 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -56.87 -49.91 74.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.913 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.31 43.59 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 74.35 111.123 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.66 172.12 33.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.5 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 p -118.51 -172.1 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 71.22 110.842 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -41.25 74.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 74.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.08 -55.9 29.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.733 ' HG ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.98 -41.2 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.11 110.922 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -56.23 -50.66 70.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.808 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -55.97 -41.71 75.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 45.13 110.933 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.934 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.99 -57.56 12.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.915 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HE2' HD11 ' A' ' 101' ' ' LEU . 9.5 t80 -53.81 -28.46 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.906 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.676 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.1 m-20 -71.71 -58.27 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.845 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 35.0 m -61.94 -52.83 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 61.42 111.185 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.934 HD11 HD12 ' A' ' 78' ' ' LEU . 55.7 mt -52.99 -34.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 64.23 111.092 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -60.97 2.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 72.44 111.089 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.8 t -53.75 -37.28 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 51.1 111.162 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.32 -53.97 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.918 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -52.03 -47.75 64.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.949 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -52.1 -43.42 63.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 75.13 110.873 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 84' ' ' VAL . 50.1 t -56.08 -46.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.145 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -70.25 -20.83 63.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 117.253 -1.356 . . . . 71.44 110.763 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -95.84 26.14 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.688 1.131 . . . . 75.34 110.93 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 58.53 35.94 24.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -112.52 136.37 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 72.02 111.09 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.17 118.05 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.3 110.845 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.737 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.9 m -122.09 175.19 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 74.13 111.182 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.84 -28.91 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.879 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.78 178.61 7.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 61.14 110.884 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.676 HG21 ' CG ' ' A' ' 80' ' ' ASN . 70.6 m -70.82 -30.41 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.133 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -49.77 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.835 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.46 -43.97 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -64.82 -35.18 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 73.35 111.046 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -65.47 -44.23 87.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.935 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -60.28 -36.94 78.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.893 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -65.15 -58.56 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 62.01 110.917 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -55.12 -29.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 50.11 111.171 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.25 -39.77 47.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.46 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.889 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.28 -45.69 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 75.43 110.875 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -73.77 -29.81 62.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 63.22 110.895 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -64.49 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -49.69 72.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.928 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -63.1 -41.12 99.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -30.62 61.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 75.52 110.897 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -37.93 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.905 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -65.49 -35.53 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.859 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.51 -29.14 69.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.086 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -121.86 36.13 4.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.976 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -64.87 -32.6 74.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 63.21 110.924 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.37 -36.56 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 70.03 111.102 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.32 65.86 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 61.33 111.138 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.8 -52.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.097 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.7 -28.37 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.13 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -32.86 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 63.32 111.13 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.7 -145.47 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 73.4 112.501 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -161.58 51.91 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.798 0.333 . . . . 74.42 110.859 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -142.49 86.14 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.896 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 p -154.78 89.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 74.13 110.83 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -76.74 176.27 8.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.44 110.88 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 39.4 t -100.43 92.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.31 104.52 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -169.07 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 75.22 110.922 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -72.37 145.31 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 75.51 110.847 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 71.21 110.937 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.613 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.448 -0.261 . . . . 71.54 112.448 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.44 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 54.24 111.171 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -49.38 50.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 61.31 110.847 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.91 -177.98 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 53.54 111.05 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.85 152.09 24.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 60.42 110.845 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.03 -63.49 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 12' ' ' GLU . 89.3 mt -98.94 134.35 41.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 53.44 110.967 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 p -77.25 -174.94 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.02 110.833 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.84 -50.93 58.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 61.54 112.455 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.6 -45.51 92.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 44.24 112.492 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 8' ' ' LEU . 23.6 mt-10 -62.99 -34.76 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 72.32 110.884 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.96 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.969 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -53.99 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -66.63 -42.16 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.728 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.4 t-105 -52.68 -51.77 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.911 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.71 -25.86 68.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -48.03 19.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 75.54 110.942 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.728 HD12 ' HA ' ' A' ' 16' ' ' TRP . 5.4 mt -51.65 143.71 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.42 111.141 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.55 153.16 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.879 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.699 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 6.5 mt -60.02 -36.32 77.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.868 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -131.5 159.11 73.27 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.662 0.744 . . . . 53.11 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -38.68 7.46 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 64.14 112.311 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.01 31.65 6.86 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.789 -0.719 . . . . 71.43 112.528 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.87 170.55 26.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 61.12 112.52 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -113.17 26.58 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 61.34 110.874 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.89 156.77 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.939 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -179.56 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.411 . . . . 74.41 110.956 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CE2' HG21 ' A' ' 84' ' ' VAL . 5.5 m-85 -91.49 150.22 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.853 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.35 170.12 20.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 61.1 110.867 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mp -53.79 -28.11 33.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 73.02 110.922 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -30.25 23.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.928 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -85.64 -33.16 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 117.292 -1.337 . . . . 64.13 110.814 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.24 -37.06 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 119.653 1.115 . . . . 64.51 111.164 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.02 -37.58 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 60.25 111.18 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.4 t90 -64.26 -51.25 64.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.93 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.33 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 63.4 111.046 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -59.73 -55.99 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.26 -26.47 40.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.885 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -26.16 25.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.855 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 51' ' ' LEU . 11.8 mt -68.61 -49.26 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 61.15 110.959 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -26.61 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 62.34 110.91 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -29.03 64.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 75.02 110.874 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -95.86 25.85 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.96 22.62 13.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 65.13 111.115 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG13 HD12 ' A' ' 50' ' ' LEU . 95.9 t -117.74 130.31 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -73.07 142.63 82.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.681 0.753 . . . . 71.21 110.846 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.51 23.78 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 70.21 112.363 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.64 55.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 63.41 112.499 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.762 HD12 HG13 ' A' ' 46' ' ' VAL . 62.9 mt -96.74 -25.96 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 74.42 110.986 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 41' ' ' LEU . 14.6 mt -67.29 -25.73 66.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.917 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HG3' HG23 ' A' ' 53' ' ' THR . 8.2 pt-20 -76.36 -5.74 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.939 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' HG3' ' A' ' 52' ' ' GLU . 20.9 p -119.16 130.7 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 73.33 111.148 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 p -55.59 -26.21 42.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.784 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -46.13 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.34 110.907 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.61 -49.45 57.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 53.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.86 -39.21 73.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 55.52 110.902 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -57.6 -46.8 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -65.38 -37.46 87.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 72.55 110.921 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.529 ' CG2' HD13 ' A' ' 82' ' ' ILE . 54.8 mt -67.63 -40.39 84.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.44 111.167 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -73.42 -39.0 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 64.11 111.006 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.02 -25.18 45.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 71.25 112.48 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -92.15 -26.16 18.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 64.33 110.946 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD21 ' H48' ' A' ' 300' ' ' PC8 . 83.3 mt -82.49 -26.12 32.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HA ' HD12 ' A' ' 68' ' ' LEU . 4.0 mt-30 -52.05 -61.76 4.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.713 . . . . 55.32 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.0 Cg_endo -69.72 -17.77 37.57 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 73.05 112.347 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.558 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -81.76 -27.47 33.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.422 . . . . 62.25 110.841 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.0 mt -52.94 -29.36 28.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 71.41 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -54.3 -44.91 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.9 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 p -132.7 42.29 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.124 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -87.68 163.33 33.64 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.669 -0.777 . . . . 70.3 112.461 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -105.27 -171.63 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 64.25 110.909 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -52.74 -48.61 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.89 -47.68 84.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 63.41 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -57.9 -38.69 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.895 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -67.52 -53.83 25.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.867 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.29 -39.7 60.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.817 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -59.6 -57.26 13.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.918 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -53.1 -29.54 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.7 m-20 -71.6 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.875 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.0 -52.48 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.134 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 78' ' ' LEU . 66.9 mt -53.57 -33.65 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.324 -0.398 . . . . 71.42 111.152 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.01 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG21 ' CE2' ' A' ' 29' ' ' TYR . 58.3 t -54.27 -37.37 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 53.54 111.119 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.72 HD12 ' CZ3' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -71.3 -54.66 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.902 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -52.04 -47.55 65.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.28 -42.8 64.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 74.21 110.902 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 84' ' ' VAL . 57.7 t -59.92 -43.04 91.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.33 111.106 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -72.0 -21.02 61.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 117.269 -1.348 . . . . 65.41 110.795 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -96.33 26.08 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 119.668 1.122 . . . . 70.44 110.92 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 56.22 26.37 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.835 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.1 mt -96.82 132.96 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.01 111.095 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -109.9 107.19 17.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.2 110.815 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.66 HG11 ' HA ' ' A' ' 100' ' ' ALA . 34.6 m -117.16 154.89 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.02 111.162 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -92.16 -34.02 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.01 110.899 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.02 178.66 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 72.02 110.923 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.422 HG21 ' CG ' ' A' ' 80' ' ' ASN . 24.1 m -67.74 -32.91 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.54 111.131 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -57.32 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.15 110.879 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -59.15 -29.35 67.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.947 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.66 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -67.58 -32.39 73.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 62.43 111.144 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.87 -36.01 37.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 41.02 110.909 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -67.02 -41.55 86.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.869 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -59.05 -40.13 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.34 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -72.19 -43.11 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.51 111.064 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.42 -47.06 82.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.42 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.84 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.44 110.962 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.95 -30.12 70.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 70.32 110.863 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -44.09 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.929 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -64.48 -45.38 87.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 42.14 110.868 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -59.36 -27.24 65.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 t -79.22 -39.15 33.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.5 110.874 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -45.6 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 74.43 110.883 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -32.77 72.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.931 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -26.41 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.904 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.93 31.07 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.25 111.041 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.54 26.28 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 65.22 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -87.94 -33.78 18.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.0 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 61.41 111.086 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.67 80.7 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 72.25 111.06 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.01 -51.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 73.54 111.096 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -28.18 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 70.35 110.939 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.3 p -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.43 111.08 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.62 158.49 4.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 73.42 112.508 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.19 162.73 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 63.1 110.89 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.71 165.2 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.877 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.09 136.04 56.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.1 110.848 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -163.55 129.34 3.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 71.44 110.95 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 33.0 m -89.5 144.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 51.02 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.67 146.11 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.799 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.06 175.62 8.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 75.13 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -100.8 89.83 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.937 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.951 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.502 ' H48' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.439 -0.265 . . . . 45.03 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.61 168.73 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.712 0.292 . . . . 64.04 111.132 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 57.13 71.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 64.51 110.875 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.42 64.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -65.28 143.24 57.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 64.03 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.6 t -111.96 -68.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.04 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 12' ' ' GLU . 97.4 mt -100.96 126.76 47.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.907 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -70.57 -172.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 54.12 110.792 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.67 -51.78 54.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 65.41 112.524 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.0 96.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 53.43 112.528 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.696 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.0 mt-10 -66.15 -30.61 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 74.2 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.96 -49.41 68.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.884 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.89 -52.6 56.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.878 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -64.32 -42.57 96.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.692 ' HA ' HD12 ' A' ' 19' ' ' ILE . 63.0 t-105 -53.08 -52.16 59.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 74.31 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.5 -26.25 66.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 62.52 110.913 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -75.38 -49.35 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 62.21 110.946 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 16' ' ' TRP . 4.9 mt -51.95 140.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 65.52 111.118 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -105.42 156.6 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 61.44 110.883 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 29' ' ' TYR . 2.7 mt -69.49 -47.44 63.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 52.23 110.944 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.52 159.6 52.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 74.41 110.893 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -36.09 11.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.211 . . . . 62.21 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.4 43.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 61.51 112.471 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.88 174.23 19.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 71.33 112.479 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.97 26.26 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 74.05 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -141.64 151.56 43.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 60.13 110.932 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -105.91 -175.02 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 71.2 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.724 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.7 m-85 -84.9 150.25 25.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.269 -0.423 . . . . 75.21 111.008 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -149.23 168.01 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.25 110.905 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD13 HD12 ' A' ' 34' ' ' ILE . 2.6 mm? -54.13 -27.69 34.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.888 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -52.01 -31.1 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CE1' HD21 ' A' ' 21' ' ' LEU . 21.4 m80 -84.92 -33.49 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 117.311 -1.328 . . . . 51.34 110.802 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD12 HD13 ' A' ' 31' ' ' LEU . 64.9 mt -71.57 -38.44 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 119.658 1.117 . . . . 72.32 111.104 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -73.05 -44.01 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 72.32 111.11 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.635 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 79.0 t90 -54.0 -50.73 65.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.96 93.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.115 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.05 -44.76 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 51.34 110.874 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -66.52 -26.17 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 75.13 110.906 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.47 -28.53 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.901 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 51' ' ' LEU . 12.1 mt -64.94 -49.83 68.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.92 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -26.42 39.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 63.03 110.863 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -28.46 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.922 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -96.28 25.96 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.24 110.925 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.92 22.47 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.42 111.09 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.47 130.24 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.137 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.76 142.53 83.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 54.11 110.861 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.48 23.7 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 54.41 112.373 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.49 12.59 55.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.816 -0.707 . . . . 55.04 112.45 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.768 HD12 HG13 ' A' ' 46' ' ' VAL . 63.1 mt -96.73 -25.86 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 74.21 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.512 HD11 HD12 ' A' ' 41' ' ' LEU . 11.3 mt -66.05 -25.87 67.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 74.13 110.922 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -5.72 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 71.14 110.908 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.9 p -117.47 131.18 56.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 61.11 111.166 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -55.56 -26.13 41.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -84.61 -44.95 13.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.55 -31.09 43.72 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 32.44 112.514 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 1.2 m -75.14 -40.2 59.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 73.13 110.898 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -53.94 -43.87 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 71.4 110.902 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -28.1 69.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.947 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' CYS . 55.4 mt -78.94 -41.49 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.14 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.76 -40.78 72.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.929 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.38 -29.67 38.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.65 -0.786 . . . . 62.32 112.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.24 -31.16 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 71.02 110.831 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.75 -27.69 58.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 71.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.632 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.4 mm-40 -52.45 -61.81 4.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.674 0.749 . . . . 75.33 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.3 Cg_endo -69.82 -19.35 35.97 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.683 2.256 . . . . 74.43 112.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.593 ' CB ' HD21 ' A' ' 75' ' ' LEU . 69.5 m -80.26 -27.51 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 62.13 110.876 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.0 mt -53.46 -28.58 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.01 110.881 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 70' ' ' THR . 20.4 tt0 -55.1 -49.5 71.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.881 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 69' ' ' GLN . 74.6 p -129.34 43.48 3.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.154 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -94.81 152.95 20.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 41.44 112.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.6 p -93.86 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 74.24 110.842 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.44 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 71.02 110.872 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.06 -33.23 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.3 OUTLIER -79.0 -26.35 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.903 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -44.32 30.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 65.14 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -59.49 -39.52 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.815 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 82' ' ' ILE . 1.8 mm? -62.01 -57.6 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 54.41 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.5 -29.65 26.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.938 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.6 -58.63 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 71.42 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.2 m -60.11 -52.97 63.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.153 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.94 HD11 HD12 ' A' ' 78' ' ' LEU . 58.4 mt -54.05 -37.91 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.15 111.164 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.79 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.132 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.724 HG21 ' CE2' ' A' ' 29' ' ' TYR . 60.4 t -72.34 -37.52 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.111 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD12 ' CH2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.9 -56.65 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.922 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -52.09 -46.81 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.911 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.42 ' HA ' HD12 ' A' ' 92' ' ' ILE . 6.7 m -52.02 -42.99 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 74.52 110.904 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.8 t -57.76 -47.31 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.12 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.6 -18.93 65.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 117.317 -1.325 . . . . 63.1 110.849 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -99.45 26.15 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 119.67 1.123 . . . . 52.12 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 56.39 27.71 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.815 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 87' ' ' CYS . 27.1 mt -98.55 127.57 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 65.43 111.103 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -111.1 119.7 39.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 71.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 100' ' ' ALA . 20.0 m -131.6 154.35 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.54 111.115 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -44.9 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.42 110.911 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -128.8 -177.14 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.23 110.853 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.0 m -79.63 -33.15 41.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.173 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -56.9 -32.12 65.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 62.02 110.874 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.92 -44.88 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 63.22 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -56.45 -29.04 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 71.33 111.088 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 98' ' ' LYS . 25.1 mt -72.16 -43.22 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.947 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.02 -28.76 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.85 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -45.6 56.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.2 mt -71.43 -31.9 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 54.45 111.113 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -74.39 -31.75 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.845 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -75.53 -30.06 59.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.871 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.2 -29.82 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.849 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -90.3 -26.54 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.878 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -60.96 -34.62 75.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.25 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -75.48 -26.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.83 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -80.15 -29.52 38.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.883 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -43.08 72.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.3 110.891 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -57.17 -32.44 66.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.83 26.31 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 70.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -171.35 45.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.45 111.108 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -121.03 28.53 7.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 63.52 110.992 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -102.43 27.17 7.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 40.33 110.959 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -146.75 29.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.12 111.056 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -158.55 26.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -125.88 27.44 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 60.54 111.067 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -128.49 -48.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 75.15 110.836 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 49.4 p -73.38 172.11 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 73.45 111.136 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -87.79 132.3 11.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 70.42 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -168.29 138.13 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 73.14 110.892 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -70.82 159.29 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 61.31 110.873 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.8 m -117.04 -175.42 2.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.494 . . . . 72.12 110.85 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -157.74 139.14 13.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.964 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.6 m -103.08 173.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 63.14 111.168 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.29 168.06 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.876 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.43 164.33 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -97.44 -26.91 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.87 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 75.25 110.931 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.526 -0.229 . . . . 45.03 112.526 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.85 67.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.739 0.304 . . . . 45.04 111.138 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 58.99 86.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.919 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -164.1 167.92 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 55.53 111.082 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.57 145.26 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.849 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -84.57 -61.69 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.149 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 85' ' ' LEU . 49.4 mt -116.48 125.58 52.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -179.36 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 62.12 110.848 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.29 -49.72 55.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.7 -49.84 72.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 75.35 112.511 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 mt-10 -59.94 -43.77 94.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 62.01 110.874 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.9 tt -54.4 -43.74 71.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 63.2 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -52.41 -51.85 56.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 61.31 110.901 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -37.71 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.938 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.593 ' HA ' HD12 ' A' ' 19' ' ' ILE . 54.8 t-105 -58.12 -52.58 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.942 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -25.89 67.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.826 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -50.65 16.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.54 110.962 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 84' ' ' VAL . 5.4 mt -51.71 140.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.102 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -105.66 153.79 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.842 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 33' ' ' HIS . 1.6 mt -68.18 -27.61 66.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -134.99 159.75 70.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 74.14 110.892 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.9 1.77 Allowed 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.636 2.224 . . . . 42.24 112.383 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 38.89 3.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 75.22 112.524 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.56 -178.69 38.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 63.04 112.498 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.22 26.09 8.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 62.23 110.936 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.73 159.34 42.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.977 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -114.81 -179.71 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.745 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.5 m-85 -83.49 150.2 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 60.33 110.909 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -150.99 169.25 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.899 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mp -53.63 -28.17 31.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -51.95 -30.06 23.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.5 110.939 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 21' ' ' LEU . 25.4 m80 -85.67 -29.52 23.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 117.321 -1.323 . . . . 71.1 110.83 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.61 -37.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 119.607 1.094 . . . . 53.25 111.111 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.7 t -72.01 -38.2 63.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 53.22 111.126 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 74.5 t90 -66.68 -26.89 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.95 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.12 -25.16 23.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 70.41 111.182 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -73.57 -34.96 65.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.51 110.89 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 -82.85 -26.41 31.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.835 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.39 -26.01 33.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 51' ' ' LEU . 7.0 mt -68.85 -50.31 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -26.0 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.906 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -26.88 62.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.1 110.827 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -96.01 28.12 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.841 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.05 20.51 12.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.692 HG13 HD12 ' A' ' 50' ' ' LEU . 97.2 t -118.13 114.82 46.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.121 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.53 144.69 95.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 74.41 110.886 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -11.0 29.91 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.744 2.296 . . . . 71.4 112.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.96 -16.49 66.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 62.35 112.524 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.692 HD12 HG13 ' A' ' 46' ' ' VAL . 44.7 mt -75.77 -24.63 56.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 53.53 110.896 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 HD21 HD11 ' A' ' 41' ' ' LEU . 55.3 mt -63.17 -25.49 68.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.891 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' OE2' ' HB1' ' A' ' 5' ' ' ALA . 1.2 pt-20 -98.11 23.95 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.858 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 p -135.2 123.07 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 61.35 111.14 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -23.16 51.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 31.13 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -84.5 -47.8 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.861 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.13 87.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 72.12 112.514 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -33.7 40.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 61.21 110.825 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.5 ttm180 -71.28 -43.79 66.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.868 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -63.93 -44.94 91.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 72.23 110.925 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.556 ' CG2' HD13 ' A' ' 82' ' ' ILE . 56.8 mt -54.58 -37.48 38.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.105 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 58' ' ' ARG . 8.5 mt -69.03 -26.95 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.951 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.99 82.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.7 -0.762 . . . . 62.23 112.552 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.16 -26.17 36.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 65.22 110.928 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 mt -87.18 -25.9 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.943 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 68' ' ' LEU . 2.7 mm100 -51.95 -61.76 3.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.64 0.733 . . . . 71.03 110.933 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.76 -16.75 37.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.278 . . . . 64.23 112.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -83.08 -26.66 30.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.92 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 65' ' ' GLN . 5.8 mt -51.88 -30.68 24.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.055 -0.521 . . . . 74.35 110.927 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -54.61 -44.28 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.866 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 p -131.65 42.65 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.103 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HD13 ' A' ' 75' ' ' LEU . . . -87.87 169.62 38.86 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.518 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -117.05 -171.81 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 64.52 110.885 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.28 -40.3 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 71.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.37 -45.7 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.41 110.925 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.4 OUTLIER -59.78 -54.61 44.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.93 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.56 -51.36 60.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 73.45 110.854 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -52.33 -39.54 60.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.22 110.899 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.923 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -62.84 -57.01 12.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.01 110.894 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.616 ' HD2' HD21 ' A' ' 101' ' ' LEU . 4.0 t80 -52.12 -30.12 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.875 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 97' ' ' THR . 60.6 m-20 -74.14 -54.96 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.2 110.925 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.2 m -61.33 -54.22 46.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.13 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.923 HD11 HD12 ' A' ' 78' ' ' LEU . 55.0 mt -56.24 -25.19 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.52 111.092 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' TYR . . . -74.37 -61.15 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.039 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG21 ' CE2' ' A' ' 29' ' ' TYR . 87.1 t -51.7 -37.64 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.177 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD12 HD11 ' A' ' 8' ' ' LEU . 2.6 tp -72.55 -51.53 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 53.32 110.903 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -52.05 -50.49 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.94 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 41.9 m -51.92 -35.29 45.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 62.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 84' ' ' VAL . 59.2 t -69.21 -49.45 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 63.24 111.131 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -61.71 -22.43 65.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 117.242 -1.361 . . . . 75.35 110.808 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -93.13 -68.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.673 1.124 . . . . 52.35 110.928 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.23 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.34 110.888 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.611 HG22 HG13 ' A' ' 94' ' ' VAL . 2.7 mp -51.68 129.85 11.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.066 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -122.99 57.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.885 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.906 HG21 ' HB2' ' A' ' 100' ' ' ALA . 19.5 m -51.8 169.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.34 111.04 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -107.18 -26.12 11.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 75.14 110.908 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.94 157.95 45.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.854 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 80' ' ' ASN . 41.2 m -55.74 -32.37 63.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 75.22 111.13 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.39 -53.46 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.81 -44.75 86.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.917 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.906 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -58.44 -27.73 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.123 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 ' HD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -79.8 -45.67 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.887 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 -32.5 73.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.821 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -67.71 -52.49 37.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.02 110.889 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.41 -41.11 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.25 111.199 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.06 -35.53 73.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.858 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.12 -46.84 31.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 75.02 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.84 -34.33 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 72.35 110.885 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.32 -29.78 66.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 54.53 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -53.52 -33.41 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.948 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -30.63 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 64.12 110.913 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.77 -31.22 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.845 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -62.45 -31.65 72.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 55.11 110.928 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -96.43 28.14 3.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 64.24 110.896 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.26 27.11 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 53.45 110.917 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -129.45 26.74 5.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.144 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -121.06 43.13 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.878 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -125.59 -58.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.916 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.08 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 43.42 111.072 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.76 -38.65 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.13 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.95 -35.43 58.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.02 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.95 26.32 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.8 p 51.3 -170.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 72.25 111.199 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -148.76 -81.8 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.768 -0.73 . . . . 62.25 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -130.43 131.51 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 73.52 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.24 161.44 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 73.5 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.35 101.0 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.922 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -118.51 160.66 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 64.12 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.3 m -57.63 164.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 60.44 111.113 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.0 t -103.62 -176.97 3.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 52.3 110.846 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.21 167.26 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 74.31 110.91 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.85 93.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 62.51 110.834 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.127 -0.488 . . . . 65.03 110.911 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.528 -0.229 . . . . 45.03 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.36 -45.69 4.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 73.2 111.062 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -96.74 -176.59 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.24 110.892 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.74 82.14 7.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 61.31 111.081 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.68 158.77 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.833 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.71 -67.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 62.1 111.139 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 16' ' ' TRP . 95.0 mt -94.84 128.31 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 64.23 110.929 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -72.21 -172.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.47 -51.46 58.64 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 51.5 112.472 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.89 98.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 65.15 112.489 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.542 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 mt-10 -67.61 -35.02 78.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 74.23 110.857 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -61.16 -47.61 85.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.914 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.1 -51.63 56.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.837 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.81 86.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 64.52 110.951 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.594 ' HB2' HD13 ' A' ' 8' ' ' LEU . 58.2 t-105 -52.05 -50.59 61.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 75.1 110.924 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -61.69 -26.32 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 70.21 110.852 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.76 -47.28 22.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 64.53 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.657 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -51.93 138.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.43 111.109 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -99.35 159.22 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.858 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD21 ' CE1' ' A' ' 33' ' ' HIS . 2.1 mt -78.52 -27.19 45.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 152.45 63.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 74.2 110.869 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 -34.31 14.47 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.635 2.223 . . . . 73.31 112.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.04 56.11 0.48 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.515 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.69 -173.74 13.47 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 65.24 112.484 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.2 28.42 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 73.03 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -128.75 176.92 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.857 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -135.94 176.59 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.926 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.4 m-85 -82.75 149.16 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.02 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -149.59 168.88 22.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -28.29 31.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -51.95 -32.59 33.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.889 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.601 ' CE1' HD21 ' A' ' 21' ' ' LEU . 23.6 m80 -83.02 -31.25 27.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 117.328 -1.32 . . . . 73.21 110.785 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.6 mt -72.51 -37.16 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 119.686 1.13 . . . . 71.44 111.148 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.47 -37.76 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.31 111.135 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 55.0 t90 -61.04 -52.87 63.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 74.2 110.899 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.77 -46.06 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 33.24 111.063 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -45.51 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.805 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -58.38 7.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.925 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.38 -29.38 48.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.901 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 51' ' ' LEU . 10.1 mt -65.59 -56.8 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 63.24 110.939 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.23 -27.58 35.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -29.89 69.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.32 110.842 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -95.92 26.71 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.891 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 21.62 12.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 62.22 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -117.24 122.98 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.14 111.127 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -63.74 144.23 97.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 63.02 110.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -8.54 23.86 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 73.44 112.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.5 10.26 51.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 44.43 112.523 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.821 HD12 HG13 ' A' ' 46' ' ' VAL . 60.9 mt -100.55 25.3 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 63.42 110.835 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 41' ' ' LEU . 7.4 mt -116.53 -26.5 7.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.896 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.38 -5.7 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 54.1 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 p -121.41 131.07 53.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.25 111.152 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -26.45 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.821 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 -45.97 33.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.881 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.65 -50.32 57.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 45.42 112.516 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.643 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.0 m -57.66 -38.69 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 75.44 110.862 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -53.09 -49.58 66.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 74.5 110.902 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -64.23 -31.82 73.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 62.43 110.853 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.643 HD12 ' HA ' ' A' ' 57' ' ' CYS . 60.1 mt -71.4 -38.42 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 62.03 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 mt -77.11 -36.63 55.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.97 -19.94 46.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 52.55 112.478 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -94.33 -26.23 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 75.23 110.918 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' A' ' 75' ' ' LEU . 97.9 mt -86.5 -26.09 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 62.32 110.908 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.663 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -52.52 -61.75 4.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.641 0.734 . . . . 73.54 110.945 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.1 Cg_endo -69.76 -18.47 36.99 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 74.53 112.398 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 t -81.45 -26.82 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.818 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 65' ' ' GLN . 4.8 mt -52.66 -29.61 27.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 74.3 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -52.1 -39.99 60.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.02 110.905 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 43.79 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.14 111.133 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.58 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -83.87 169.73 46.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.711 . . . . 74.52 112.509 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.2 p -108.82 -174.14 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 71.05 110.854 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -55.49 -41.04 72.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.922 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 78' ' ' LEU . 2.0 mp0 -66.11 -36.32 82.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.885 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.742 HD21 ' HB3' ' A' ' 67' ' ' SER . 0.3 OUTLIER -69.04 -42.49 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.876 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -49.96 71.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.33 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -52.82 -44.79 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 65.2 110.841 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.932 HD12 HD11 ' A' ' 82' ' ' ILE . 1.9 mm? -58.42 -57.57 12.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 70.12 110.931 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.471 ' HE2' HD11 ' A' ' 101' ' ' LEU . 4.5 t80 -52.72 -30.44 32.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 1.8 m-20 -69.98 -60.2 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.829 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.4 m -60.35 -53.24 60.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.13 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD11 HD12 ' A' ' 78' ' ' LEU . 56.9 mt -52.3 -39.9 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 60.31 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.79 87.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.088 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 88' ' ' VAL . 59.4 t -71.21 -41.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 71.43 111.084 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -58.34 6.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 71.45 110.927 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -52.23 -46.4 65.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.1 m -52.63 -38.26 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 63.44 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 84' ' ' VAL . 67.3 t -62.19 -41.38 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 52.24 111.111 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -74.7 -9.78 58.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 117.3 -1.333 . . . . 75.21 110.822 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.43 26.22 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 119.643 1.111 . . . . 53.12 110.917 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 56.18 26.81 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.906 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.41 122.36 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 62.53 111.055 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -103.97 115.75 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.01 110.876 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.627 HG21 ' HB2' ' A' ' 100' ' ' ALA . 18.0 m -123.32 158.36 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 73.23 111.113 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.4 -32.38 13.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.928 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.67 179.94 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.857 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 80' ' ' ASN . 88.2 m -71.06 -32.72 69.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 51.44 111.143 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -48.9 75.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.889 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.27 72.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 94' ' ' VAL . . . -62.93 -28.27 69.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 72.53 111.093 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -73.31 -40.9 64.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.9 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.61 -34.11 77.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.909 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -57.43 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 62.34 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.8 -27.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 63.43 111.105 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.22 -47.08 46.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.851 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.0 -38.75 83.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 54.1 110.95 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -31.07 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.94 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.86 -27.66 49.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.849 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.7 -46.66 36.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 31.44 110.897 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.0 -39.78 82.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.847 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -63.7 -28.68 70.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 64.42 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -43.57 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 75.31 110.895 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -27.98 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.846 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -71.62 -28.72 63.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 72.45 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -106.2 35.44 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.094 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.24 30.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -66.3 -33.57 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 74.35 110.932 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.3 77.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 60.25 111.129 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.06 47.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 73.35 111.055 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.52 30.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 70.11 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -142.77 54.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 70.02 110.801 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.8 p -56.11 114.34 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 75.42 111.176 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -70.75 83.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.832 -0.699 . . . . 45.34 112.467 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.68 167.93 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 53.13 110.86 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.89 118.59 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 63.44 110.88 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.55 -178.73 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.43 110.854 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.88 126.18 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 65.3 110.907 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.92 148.44 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 64.12 111.157 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.6 p -104.46 123.77 48.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 71.32 110.812 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.83 49.49 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 73.5 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -161.24 155.59 22.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.942 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.927 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.415 ' H41' HD21 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.527 -0.229 . . . . 45.03 112.527 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.46 135.69 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 74.34 111.098 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -60.63 107.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.83 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.74 68.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.153 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -98.11 121.61 40.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 72.25 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 85' ' ' LEU . 76.5 t -102.79 -71.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.54 111.104 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 12' ' ' GLU . 51.6 mt -92.44 145.38 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.963 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -89.5 -172.56 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.45 -51.85 56.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 72.2 112.543 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.94 96.87 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 71.42 112.484 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HB3' HD22 ' A' ' 8' ' ' LEU . 22.9 mt-10 -69.95 -37.24 75.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.842 0.354 . . . . 43.44 110.798 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -56.27 -42.73 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -55.98 -55.86 27.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 52.42 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -41.76 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.3 t-105 -52.02 -46.96 65.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.935 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.84 -26.21 68.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -77.65 -43.81 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 63.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.726 HG21 ' CG1' ' A' ' 84' ' ' VAL . 55.3 mt -52.02 135.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 71.42 111.073 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -95.2 159.09 15.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.866 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CZ ' ' A' ' 29' ' ' TYR . 84.5 mt -70.27 -39.34 75.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.94 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -135.56 159.41 71.64 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 65.14 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -35.97 11.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 74.21 112.374 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.66 30.41 10.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 74.22 112.485 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.1 177.32 17.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 65.32 112.462 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -115.63 -26.22 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 65.12 110.829 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -52.26 124.58 13.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.957 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 171.57 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 55.25 110.895 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CE2' HG21 ' A' ' 84' ' ' VAL . 2.8 m-85 -86.06 150.81 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.52 111.001 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -149.24 168.01 24.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.896 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.98 -27.88 34.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.935 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.92 -30.8 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.41 110.907 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -85.63 -36.73 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 117.34 -1.314 . . . . 71.23 110.831 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.5 mt -68.59 -39.74 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 119.625 1.102 . . . . 53.03 111.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.4 -43.98 72.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 86.7 t90 -60.62 -46.88 88.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.843 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.5 -40.81 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.291 -0.413 . . . . 70.02 111.118 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.64 -43.82 80.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -69.84 -60.38 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 65.14 110.819 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HB3' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -51.91 -30.43 24.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 65.55 110.916 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -63.62 -57.3 10.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.89 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.24 -27.65 36.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.906 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.884 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -96.08 28.37 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.9 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.89 22.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 71.23 111.075 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG1' HD12 ' A' ' 50' ' ' LEU . 93.6 t -117.76 114.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 73.43 111.118 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.69 144.15 97.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 43.24 110.895 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -12.79 33.72 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.738 2.292 . . . . 73.33 112.344 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.76 -10.81 56.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.776 -0.726 . . . . 64.14 112.526 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.788 ' HB2' HD11 ' A' ' 60' ' ' ILE . 50.8 mt -77.16 -23.63 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 71.25 110.827 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.3 mt -78.32 -20.68 50.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.949 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -95.45 22.53 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.872 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -147.3 118.56 7.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.141 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.39 -21.4 59.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.903 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -90.03 -55.12 3.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 73.42 110.846 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.29 -20.47 44.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 71.01 112.481 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.29 79.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 71.22 110.869 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -30.15 25.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.94 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.11 -36.46 81.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.788 HD11 ' HB2' ' A' ' 50' ' ' LEU . 64.0 mt -64.7 -62.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 34.01 111.114 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.29 -34.2 56.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 43.32 110.891 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.55 -19.76 49.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 73.1 112.537 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.27 -26.79 11.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 75.14 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -80.92 -26.19 36.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.35 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 68' ' ' LEU . 1.1 mt-30 -52.25 -61.66 4.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.695 . . . . 71.44 110.922 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 54.2 Cg_endo -69.77 -16.83 37.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.629 2.219 . . . . 70.2 112.346 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -82.59 -26.68 32.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 65' ' ' GLN . 6.5 mt -52.11 -30.47 26.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 61.55 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -53.32 -45.44 69.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.35 110.948 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.46 41.75 3.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 62.44 111.174 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -95.74 140.86 15.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 64.34 112.473 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 p -89.76 -171.2 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 64.54 110.861 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.11 -40.89 61.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 72.15 110.877 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.48 -52.2 65.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.859 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -54.69 -49.98 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 42.22 110.913 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.86 -51.64 60.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -41.09 69.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 63.45 110.91 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.895 HD12 HD11 ' A' ' 82' ' ' ILE . 1.5 mm? -60.4 -58.4 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 75.15 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 101' ' ' LEU . 7.7 t80 -52.14 -32.41 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 54.13 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -67.57 -57.79 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 74.01 110.881 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -62.27 -53.51 54.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 70.4 111.14 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.895 HD11 HD12 ' A' ' 78' ' ' LEU . 68.9 mt -52.47 -37.29 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.03 111.137 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.9 -60.34 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.119 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.726 ' CG1' HG21 ' A' ' 19' ' ' ILE . 92.4 t -57.09 -37.64 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.138 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD21 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -58.31 -58.24 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.34 110.989 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -52.18 -43.74 64.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -44.03 92.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 53.04 110.862 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' VAL . 87.0 t -59.83 -42.7 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.073 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -71.34 -21.08 62.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 117.279 -1.343 . . . . 71.25 110.817 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.87 26.19 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 119.642 1.11 . . . . 72.1 110.904 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 56.25 26.22 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 60.51 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.77 121.48 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.213 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -98.2 92.6 5.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 75.3 110.858 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.38 135.88 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 74.51 111.168 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -72.15 -26.75 62.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 53.02 110.855 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.98 -177.04 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.3 110.875 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.0 m -80.23 -30.63 38.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.143 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -58.1 -50.23 74.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.895 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -35.51 76.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 71.13 110.885 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.78 98.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.2 111.158 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 98' ' ' LYS . 4.4 mt -67.23 -42.87 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 61.14 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.03 -31.79 73.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.86 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -69.82 -41.97 74.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.2 mt -74.87 -29.47 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 62.41 111.07 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.63 -36.42 60.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.886 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.68 -43.27 94.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.881 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -28.28 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 65.04 110.841 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -80.8 -27.03 36.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.54 110.938 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -53.38 -31.67 45.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.918 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -52.28 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.869 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 p -61.43 -31.27 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 72.1 110.817 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -75.45 -39.93 58.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 65.52 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -33.88 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.31 110.884 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -26.94 30.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 63.32 110.941 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -102.74 29.88 5.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 70.41 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.49 45.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 65.42 110.878 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -101.66 -27.56 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.861 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -100.42 26.19 6.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 74.52 111.151 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.28 25.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 42.22 111.05 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -131.94 38.1 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 63.32 111.105 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -161.53 -41.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.828 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.1 p 51.33 -170.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.137 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -72.64 -52.79 9.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 75.22 112.476 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -52.54 108.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 71.12 110.877 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.37 133.97 52.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.897 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.8 p -164.67 -179.06 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -88.72 98.38 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 61.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.4 104.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 72.54 111.149 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.9 t -121.19 146.24 46.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.863 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -65.06 154.69 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.32 110.947 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.67 -177.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 70.43 110.973 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.545 -0.222 . . . . 45.03 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.98 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 65.12 111.137 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.13 89.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.849 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.64 125.17 12.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 24.12 111.054 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.32 163.49 17.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 64.22 110.884 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 85' ' ' LEU . 43.7 t -105.08 -55.21 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 33.24 111.165 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 12' ' ' GLU . 77.7 mt -109.68 130.1 55.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.921 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -71.51 -173.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.13 -50.82 62.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 73.04 112.499 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.91 -41.01 97.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 42.41 112.514 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.762 ' HB3' HD22 ' A' ' 8' ' ' LEU . 20.3 mt-10 -67.57 -35.01 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 62.41 110.894 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.8 tp -61.35 -54.44 43.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 51.15 110.897 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.92 -40.2 60.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 73.12 110.918 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.55 110.946 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 19' ' ' ILE . 64.9 t-105 -55.2 -39.09 69.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.869 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -72.82 -17.18 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.847 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -95.65 32.49 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.928 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.737 HG21 ' CG1' ' A' ' 84' ' ' VAL . 63.8 mt -125.57 122.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.146 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -66.73 138.34 57.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 33' ' ' HIS . 8.7 mt -67.3 -29.5 69.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 53.23 110.964 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -141.99 159.75 57.98 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 74.23 110.873 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -37.8 8.44 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.632 2.221 . . . . 71.34 112.333 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.38 45.61 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 62.41 112.508 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.45 -179.79 17.95 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 63.14 112.481 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 42.74 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 74.43 110.899 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -115.81 -171.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 75.52 110.891 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -141.88 164.34 30.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CE1' HD23 ' A' ' 21' ' ' LEU . 2.6 m-85 -83.96 151.65 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.864 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.33 161.46 37.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 75.44 110.857 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.91 -30.41 24.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.98 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -33.14 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.893 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.763 ' CE1' HD21 ' A' ' 21' ' ' LEU . 20.5 m80 -82.24 -40.81 21.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 117.27 -1.348 . . . . 62.51 110.785 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 16' ' ' TRP . 61.9 mt -61.69 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 119.714 1.143 . . . . 72.23 111.068 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.37 -38.8 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.082 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.62 ' CZ3' HD22 ' A' ' 78' ' ' LEU . 85.3 t90 -55.94 -40.5 73.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 42.24 111.046 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.9 m -68.34 -49.69 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 64.14 110.867 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -26.06 68.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 74.11 110.853 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -87.2 -27.99 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.864 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 HD11 ' A' ' 51' ' ' LEU . 11.5 mt -66.82 -47.92 70.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 70.11 110.88 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -26.23 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.864 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.11 62.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.842 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -95.84 25.85 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.858 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.85 22.27 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 74.01 111.122 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 50' ' ' LEU . 95.3 t -117.61 130.27 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.086 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.79 142.5 83.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 72.32 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -8.48 23.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 55.32 112.305 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.44 12.54 55.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 45.31 112.519 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.752 HD12 HG13 ' A' ' 46' ' ' VAL . 63.2 mt -96.75 -25.92 15.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 61.21 110.95 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 HD12 ' A' ' 41' ' ' LEU . 13.9 mt -68.9 -25.85 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.868 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HG3' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -76.45 -5.62 48.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.83 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.3 p -119.03 131.04 55.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.098 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -55.3 -26.4 40.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 65.12 110.908 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -77.01 -47.53 20.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.509 . . . . 54.24 110.936 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' HD12 ' A' ' 60' ' ' ILE . . . -59.14 -43.32 97.16 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.474 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' HA ' HD12 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -58.01 -45.12 87.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 54.41 110.859 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HA ' HD12 ' A' ' 61' ' ' LEU . 14.4 ttp180 -64.78 -37.16 86.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 75.3 110.822 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -45.73 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.893 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 57' ' ' CYS . 5.0 mt -61.06 -37.51 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.22 111.118 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 58' ' ' ARG . 17.0 mt -68.61 -27.06 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 53.41 110.899 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.11 -37.91 93.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 71.41 112.508 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -27.46 40.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 72.21 110.888 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG ' ' A' ' 75' ' ' LEU . 48.1 mt -83.54 -26.0 30.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 70.01 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -52.03 -61.81 3.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.529 0.681 . . . . 73.12 110.861 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 65' ' ' GLN . 53.8 Cg_endo -69.7 -16.83 37.98 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 64.03 112.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.416 ' CB ' HD11 ' A' ' 75' ' ' LEU . 66.5 m -83.03 -26.7 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 73.11 110.859 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 65' ' ' GLN . 9.0 mt -52.24 -31.87 34.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 63.14 110.94 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -52.02 -48.06 64.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.942 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -129.05 42.47 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 62.45 111.125 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.665 ' HA3' HD22 ' A' ' 75' ' ' LEU . . . -85.66 -171.77 48.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 71.0 112.488 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.9 p -137.1 -172.2 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 75.23 110.9 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -34.29 41.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.15 -53.34 17.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD22 ' HA3' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -55.03 -50.4 69.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.939 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.8 mmm-85 -58.31 -45.3 88.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.917 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 m -53.68 -52.95 58.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.878 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.931 HD12 HD11 ' A' ' 82' ' ' ILE . 1.7 mm? -57.44 -57.16 13.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 63.22 110.911 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 68' ' ' LEU . 6.3 t80 -51.98 -30.07 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 71.42 110.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.477 ' HB3' HG21 ' A' ' 97' ' ' THR . 1.4 m-80 -73.99 -61.17 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 74.33 110.841 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.2 m -56.1 -53.8 52.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 40.41 111.118 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.931 HD11 HD12 ' A' ' 78' ' ' LEU . 67.1 mt -53.63 -42.14 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.3 111.149 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 100' ' ' ALA . . . -58.07 -25.28 61.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.05 111.082 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.737 ' CG1' HG21 ' A' ' 19' ' ' ILE . 40.7 t -88.07 -37.25 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 71.34 111.142 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 8' ' ' LEU . 9.2 tp -70.98 -48.76 51.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.916 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -52.11 -49.66 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.868 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.43 -30.51 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.831 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 84' ' ' VAL . 21.8 t -70.72 -42.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.2 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.65 -27.99 61.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 117.303 -1.332 . . . . 74.04 110.809 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.6 -74.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.687 1.131 . . . . 75.32 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -179.33 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.582 HG22 HG13 ' A' ' 94' ' ' VAL . 3.2 mp -51.75 133.0 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -117.38 58.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.858 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 100' ' ' ALA . 28.7 m -51.8 150.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.25 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -90.08 -26.09 20.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.876 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -141.04 176.01 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 70.34 110.883 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' HB3' ' A' ' 80' ' ' ASN . 28.1 m -65.93 -46.61 77.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 42.44 111.209 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -45.39 80.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 72.24 110.843 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.82 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.897 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 94' ' ' VAL . . . -69.89 -29.24 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 35.32 111.098 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -46.37 43.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -30.14 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 60.24 110.894 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -70.72 -57.98 4.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.53 -31.79 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 62.13 111.108 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -65.53 -49.11 70.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 63.51 110.897 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -37.11 85.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.02 110.896 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -63.21 -46.22 88.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -64.21 -47.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.93 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -54.35 -46.49 72.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.866 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.03 -48.39 67.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 75.2 110.914 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -40.41 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 44.51 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -55.41 -28.23 52.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -84.3 -28.39 27.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 60.44 110.915 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 40.12 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.87 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -146.48 30.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 74.22 111.055 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -139.99 32.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.34 110.952 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.79 -35.98 77.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.45 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -102.34 26.25 8.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 60.24 111.112 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -152.75 34.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.5 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -145.42 26.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.22 111.099 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -106.61 29.69 6.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.24 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.8 p -103.01 166.74 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.153 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -83.26 75.34 2.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.469 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -144.4 31.86 1.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 64.14 110.939 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.1 -176.06 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 72.41 110.883 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.7 p -155.1 131.17 10.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 63.2 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -89.53 91.36 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.2 96.94 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 70.54 111.163 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.78 105.99 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -145.93 129.19 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.89 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -135.37 163.09 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.887 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 75.42 111.01 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' PC8 . . . . . 0.521 ' H48' HD11 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_